N-Acetyl-L-phenylalanine supplier

Name
N-Acetyl-L-phenylalanine
EINECS 217-959-8
CAS No. 2018-61-3
Article Data281
CAS DataBase
Density 1.199 g/cm³
Solubility
Melting Point 171-173 °C(lit.)
Formula C₁₁H₁₃NO₃
Boiling Point 453.9 °C at 760 mmHg
Molecular Weight 207.229
Flash Point 228.3 °C
Transport Information
Appearance white to off-white fine cryst. powder or needles
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetylphenylalanine;(2S)-2-acetamido-3-phenyl-propanoic acid;Alanine, N-acetyl-3-phenyl-, L-;L-N-Acetylphenylalanine;Ac-Phe-OH;L-Phenylalanine, N-acetyl-;(2S)-2-acetamido-3-phenyl-propanoate;N-Acetyl-3-phenyl-L-alanine;Acetyl-L-phenylalanine;N-Acetylphenylalanine;Alanine, N-acetyl-3-phenyl-, L- (8CI);H-Phe-OH;
PSA 66.40000
LogP 1.20930

Synthetic route

: 55065-02-6, 64590-80-3, 5469-45-4
N-acetamido cinnamic acid

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With hydrogen; rhodium(I)-bis(1,5-cyclooctadiene) tetrafluoroborate; triethylamine; (2R,2'R)-bis(diphenylphosphino)-(1R,1'R)-dicyclopentane In tetrahydrofuran at 20℃; under 750.075 Torr; for 24h;	100%
With hydrogen; (1+)*BF4(1-) In ethanol; benzene under 20 Torr;	99%
With hydrogen; Rh(nbd)(1)BF4 In dichloromethane at 50℃; under 38787.1 Torr; for 12h;	99%

: 52386-78-4
N-acetyl dehydrophenylalanine methyl ester

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With hydrogen; bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate In methanol at 22℃; under 38000 Torr;	100%

: 2361-96-8
ethyl N-acetyl-(L)-phenylalaninate

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With ammonium bicarbonate; water In dichloromethane for 12h; α-chymotrypsin;	100%
With caesium carbonate In methanol; water for 24h;	99%
With caesium carbonate In methanol; water for 24h; Product distribution; other alcohols;	99%
With α-chymotrypsin In water at 25℃; Rate constant; pH 7.0-7.8;
With bis-Tris propane buffer; calcium chloride at 25℃; Rate constant;

: 63-91-2
L-phenylalanine

: 108-24-7
acetic anhydride

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
In water for 0.0666667h; Irradiation;	98%
With sodium hydroxide In water pH=10; Cooling with ice;	93%
With sodium hydroxide In water at 20℃; for 3h; pH=8; Concentration;	93%

: 3618-96-0
(S)-N-acetylphenylalanine

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With magnesium iodide In tetrahydrofuran at 120℃; for 1h; Inert atmosphere; Microwave irradiation; Sealed tube; chemoselective reaction;	98%
With sodium carbonate In methanol; water for 4h;	88%
With sodium carbonate In methanol; water for 4h; Product distribution; other alkali carbonates;	88%
With water In N,N-dimethyl-formamide carbonate buffer (pH=10.5); α-chymotrypsin-cat. hydrolysis (spec. activity);

: 63-91-2
L-phenylalanine

: 75-36-5
acetyl chloride

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
In water at 110℃; for 0.0833333h; Microwave irradiation; Green chemistry; chemoselective reaction;	97%
With pyridine at 20℃;	84.6%

Rh(COD)2 BF4: Rh(COD)2 BF4

: 55065-02-6, 64590-80-3, 5469-45-4
N-acetamido cinnamic acid

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With hydrogen In tetrahydrofuran	97%

: (Z)-2-acetamidocinnamic acid

: 7440-44-0
pyrographite

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With hydrogen In methanol; benzene	96.2%

: 21156-62-7, 3618-96-0, 62436-70-8
N-acetylphenylalanine methyl ester

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With sodium hydroxide In water Alcalase, pH 7.5;	93.7%
With cross-linked yeast cells (Saccharomyces cerevisiae); water In dimethyl sulfoxide at 30℃; for 48h;

: 21156-62-7, 3618-96-0, 62436-70-8
N-acetylphenylalanine methyl ester

A: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

B: 21156-62-7
(R)-N-acetylphenylalanine methyl ester

Conditions

Conditions	Yield
With sodium hydroxide; phosphate buffer; pronase EC 3.4.24.4 In tetrahydrofuran Ambient temperature;	A 86% B 93%
Yield given. Yields of byproduct given;
With Lecitase Ultra; water; calcium chloride at 30℃; for 12h; pH=8.5; aq. buffer; Enzymatic reaction; enantioselective reaction;

: 63-91-2
L-phenylalanine

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With hydrogenchloride; acetic anhydride In sodium hydrogencarbonate; ethyl acetate	90.3%
With hydrogenchloride; acetic anhydride; triethylamine In water
Multi-step reaction with 2 steps 1: dichloromethane / 16 h / 20 °C 2: dichloromethane / 16.5 h / -40 - 20 °C View Scheme

: 55065-02-6, 64590-80-3, 5469-45-4
2-(N-acetylamino)cinnamic acid

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With bis(norbornadiene)rhodium(l)tetrafluoroborate; (3S,3'S)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole; hydrogen In methanol at 20℃; under 5171.62 Torr; for 24h; Autoclave; enantioselective reaction;	90%
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; C48H42Fe2O2; hydrogen In methanol at 20℃; under 7600.51 Torr; for 24h; optical yield given as %ee;	88%
With hydrogen In ethanol Product distribution; Ambient temperature; various catalysts;

: 68277-06-5
(S)-N-acetylphenylalanine tert-butyl ester

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane at 20℃; for 6h;	90%

: 63-91-2
L-phenylalanine

: 507-09-5
thioacetic acid

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With copper(ll) sulfate pentahydrate In methanol at 20℃; for 0.0833333h;	90%

: 55065-02-6, 64590-80-3, 5469-45-4
N-acetamido cinnamic acid

A: 10172-89-1
(R)-N-acetylphenylalanin

B: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With [Rh(cod)(Xylophos)](1+)*BF4(1-); hydrogen In methanol at 19.85℃; under 760 Torr; for 6h;	A 11% B 89%
With hydrogen; (1+); Dowex HCR-S In methanol; water at 50℃; under 15001.2 Torr; Product distribution; other rhodium(I)-complexes, various reaction conditions: time, pressure and temperatures; other derivatives of acetamidoacryl acid;
With hydrogen; chloro(1,5-cyclooctadiene)rhodium(I) dimer; optically active phosphine In methanol at 20 - 30℃; under 825.07 Torr; for 72h; Product distribution; various di- and triphosphines, other temperatures and times;

: 103989-08-8, 104787-34-0
alpha-acetaminocinnamic acid

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
	82%

: 63-91-2
L-phenylalanine

: 64-19-7
acetic acid

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With (1-methyl-3-(3-sulfopropyl)-1H-imidazol-3-ium)3[PW12O403-] In neat (no solvent) at 120℃; for 0.333333h; Green chemistry;	73%

: 2885-12-3
L-lysine n-butyl ester

: 2361-96-8
ethyl N-acetyl-(L)-phenylalaninate

A: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

B: (S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-6-amino-hexanoic acid butyl ester

Conditions

Conditions	Yield
With Tris-HCl buffer; α-chymotropsin In water; N,N-dimethyl-formamide at 25℃; pH 9;	A n/a B 67%

...Expand

: 63-91-2
L-phenylalanine

: 108965-56-6
(4-acetoxyphenyl)-dimethylsulphonium methyl sulphate

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With triethylamine In water for 4h; Ambient temperature; pH=10.0;	63%

: 4117-33-3
L-Lysine ethyl ester

: 2361-96-8
ethyl N-acetyl-(L)-phenylalaninate

A: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

B: (S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-6-amino-hexanoic acid ethyl ester

Conditions

Conditions	Yield
With Tris-HCl buffer; α-chymotropsin In water; N,N-dimethyl-formamide pH 9;	A n/a B 53%
With α-chymotrypsin at 25℃; for 0.05h; Product distribution; various buffer and pH;

...Expand

: 4134-09-2
ethyl N-acetyl-DL-phenylalaninate

A: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

B: 2361-96-8, 4134-09-2, 57772-79-9, 20918-84-7
(R)-ethyl N-acetylphenylalanine

Conditions

Conditions	Yield
With ammonium bicarbonate; water In dichloromethane for 18h; α-chymotrypsin;	A 50% B 50%
	A 50% B 50%
In ethanol; water at 35℃; for 48h; Yield given;

: 4134-09-2
ethyl N-acetyl-DL-phenylalaninate

A: 10172-89-1
(R)-N-acetylphenylalanin

B: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

C: 2361-96-8, 4134-09-2, 57772-79-9, 20918-84-7
(R)-ethyl N-acetylphenylalanine

Conditions

Conditions	Yield
With water In ethanol at 25℃; for 2h; Microbiological reaction; optical yield given as %ee; enantioselective reaction;	A n/a B n/a C 45%
at 35℃; for 48h; in the present of Saccharomyces cerevisiae Hansen; Yield given. Yields of byproduct given;

...Expand

: 42406-73-5
lysine benzyl ester p-toluenesulfonate salt

: 2361-96-8
ethyl N-acetyl-(L)-phenylalaninate

A: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

B: (S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-6-amino-hexanoic acid benzyl ester

Conditions

Conditions	Yield
With Tris-HCl buffer; α-chymotropsin In water; N,N-dimethyl-formamide at 25℃; pH 9;	A n/a B 31%

...Expand

: 2901-75-9
(R,S)-N-acetyl phenylalanine

: 131348-01-1
(1S)-endo-fenchylamine

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 2901-75-9
(R,S)-N-acetyl phenylalanine

: 119-62-0, 716-61-0, 2792-51-0, 2792-52-1, 2964-48-9, 3689-55-2, 63526-31-8, 71115-69-0, 140694-64-0
(1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 60-18-4
L-tyrosine

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
Reaktion ueber mehrere Stufen;

: 5469-44-3
2-methyl-4-benzyl-4H-oxazolin-5-one

A: 10172-89-1
(R)-N-acetylphenylalanin

B: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With alpha cyclodextrin In water; acetonitrile pH 7.86; Title compound not separated from byproducts;

: 55065-02-6, 64590-80-3, 5469-45-4
2-(N-acetylamino)cinnamic acid

A: 10172-89-1
(R)-N-acetylphenylalanin

B: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
With hydrogen In methanol at 25℃; under 3150.3 Torr; for 4h; Product distribution; enantioselectivity of reaction dependent on various rhodium complexes with 1,2-bis(phosphanyl)pyrrolidine ligands; various conditions; also N-acetylcinnamic acid methylester;
With 2S-MeN(PPh2)CHC7H7CH2OPPh2; hydrogen; Rh<(COD)Cl>2 Product distribution; other reagents;
With hydrogen; bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; Br>n In ethanol at 20℃; Product distribution; asymmetric catalytic hydrogenation, enantiodifferentiating ability of the catalysts: atmospheric pressure of H2; var. catalysts, pressure, temp. and initial rate;

: 4134-09-2
ethyl N-acetyl-DL-phenylalaninate

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

Conditions

Conditions	Yield
In water α-chymotrypsin, 0.05 M phosphate buffer pH 7.4;

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 100400-96-2, 97290-54-5
(S)-2-acetylamino-3-cyclohexylpropionic acid

Conditions

Conditions	Yield
With platinum(IV) oxide; hydrogen; acetic acid In methanol under 2585.81 Torr; for 24h;	100%
With hydrogen; rhodium on alumina In methanol for 56h; Ambient temperature; Pressure (range begins): 2.5 ;	98.1%
With C33H49ClNRh; hydrogen In 2,2,2-trifluoroethanol at 20℃; under 45004.5 Torr; for 24h; Autoclave; Molecular sieve;	93%
With acetic acid; platinum Hydrogenation;
With sodium tetrahydroborate; rhodium(III) chloride 30 deg C, water, pH=4; Yield given. Multistep reaction;

: 743477-27-2
2-hydroxy-1,1,2-trimethylpropyl ethylcarbamate

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

A: 19424-29-4
4,4,5,5-tetramethyl-1,3-dioxolan-2-one

B: 2361-96-8
ethyl N-acetyl-(L)-phenylalaninate

Conditions

Conditions	Yield
With tert.-butylnitrite; 3 A molecular sieve In dichloromethane at 60℃; for 12h;	A n/a B 100%

...Expand

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 76290-84-1
ethyl-(2-hydroxy-ethyl)-dimethyl-ammonium; hydroxide

: C6H16NO(1+)*C11H12NO3(1-)

Conditions

Conditions	Yield
In water at 20℃;	100%

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: C7H18NO(1+)*HO(1-)

: C11H12NO3(1-)*C7H18NO(1+)

Conditions

Conditions	Yield
In water at 20℃;	100%

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 114380-13-1
butyl(2-hydroxyethyl)dimethylammonium hydroxide

: C11H12NO3(1-)*C8H20NO(1+)

Conditions

Conditions	Yield
In water at 20℃;	100%

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: C9H22NO(1+)*HO(1-)

: C11H12NO3(1-)*C9H22NO(1+)

Conditions

Conditions	Yield
In water at 20℃;	100%

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 75-03-6
ethyl iodide

: 2361-96-8
ethyl N-acetyl-(L)-phenylalaninate

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 1.5h; Heating;	99%
With cesium fluoride In N,N-dimethyl-formamide at 15℃; for 24h;	90%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 55604-95-0
N-acetyl-L-phenylalanine N-hydroxysuccinimide ester

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 3.5h;	99%
With dicyclohexyl-carbodiimide In tetrahydrofuran at 0℃;	85%
With dicyclohexyl-carbodiimide at 0 - 20℃;

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 15100-75-1
L-phenylalanine tert-butyl ester hydrochloride

: 128992-42-7
N-Acetylphenylalanylphenylalanine tert-butyl ester

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 23h;	99%

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 378784-00-0, 7440-16-6
rhodium

: 100400-96-2, 97290-54-5
(S)-2-acetylamino-3-cyclohexylpropionic acid

Conditions

Conditions	Yield
In methanol	98.1%

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 63-91-2
L-phenylalanine

Conditions

Conditions	Yield
With pepsin immobilized on terephthalaldehyde functionalized chitosan magnetic nanoparticle In acetonitrile at 20℃; for 48h; pH=2;	98%
With hydrogenchloride
With hydrogen bromide

: 75-30-9
2-iodo-propane

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: isopropyl α-acetylamido-3-phenylpropanoate

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 1.5h; Heating;	98%

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 10606-72-1
(R)-mandelic acid ethyl ester

: (R)-2-Acetylamino-3-phenyl-propionic acid (S)-ethoxycarbonyl-phenyl-methyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran for 6h; Mitsunobu reaction;	98%

: 920-66-1
1,1,1,3',3',3'-hexafluoro-propanol

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: C14H13F6NO3

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 4.5h;	96%

: 67-56-1
methanol

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 3618-96-0
(S)-N-acetylphenylalanine

Conditions

Conditions	Yield
With 4-methyl-morpholine; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride	95%
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione at 70℃; for 20h;	95%
With N-Bromosuccinimide at 70℃; for 20h;	91%

: 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 2562-48-3
N-acetyl-L-phenylalanyl-L-phenylalanine methylester

Conditions

Conditions	Yield
With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride	95%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 12h;	53%
With sodium hydroxide; thermolysin at 37℃; for 24h; pH=6.3; enzymatic amidation;

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 849770-98-5
2-amino-3-[4-(tert-butoxycarbonylamino-methyl)-5-methoxymethoxy-6-methyl-pyridin-3-ylmethylsulfanyl]-propionic acid ethyl ester

: (R)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-3-[4-(tert-butoxycarbonylamino-methyl)-5-methoxymethoxy-6-methyl-pyridin-3-ylmethylsulfanyl]-propionic acid ethyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate	95%

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 20667-12-3
silver(l) oxide

: [Ag((S)-N-acetylphenylalanate)]

Conditions

Conditions	Yield
In acetonitrile slurry (S)-N-acetylphenylalanine in MeCN was added to slid Ag2O and stirred for 24 h in the dark; ppt. was filtered off, washed with Et2O, and dried in vacuo; elem. anal.;	95%

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 2,4,6-trivinylcyclotriboroxane*pyridine complex

: 147092-06-6
(L)-N-acetyl-phenylalanine vinyl ester

Conditions

Conditions	Yield
With N,N'-diethylurea; copper(II) bis(trifluoromethanesulfonate); triethylamine In tetrahydrofuran at 50℃; for 16h; Chan-Lam Coupling;	94%

: 2018-61-3
(S)-2-acetylamino-3-phenylpropanoic acid

: 107-14-2
chloroacetonitrile

: 61781-58-6
(S)-cyanomethyl 2-acetamido-3-phenylpropanoate

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 0 - 20℃; for 4.5h;	93%
With N-ethyl-N,N-diisopropylamine for 12h;	90%
With N-ethyl-N,N-diisopropylamine for 12h;	90%
With triethylamine In acetonitrile at 20℃; for 16h; Inert atmosphere;	89%
With triethylamine

N-Acetyl-L-phenylalanine Chemical Properties

Molecule structure of N-Acetyl-L-phenylalanine (CAS NO.2018-61-3):

IUPAC Name: (2S)-2-Acetamido-3-phenylpropanoic acid
Molecular Weight: 207.22582 g/mol
Molecular Formula: C₁₁H₁₃NO₃
Density: 1.199 g/cm³
Melting Point: 171-173 °C(lit.)
Boiling Point: 453.9 °C at 760 mmHg
Flash Point: 228.3 °C
Index of Refraction: 1.547
Molar Refractivity: 54.84 cm³
Molar Volume: 172.7 cm³
Surface Tension: 48.3 dyne/cm
Enthalpy of Vaporization: 75.18 kJ/mol
Vapour Pressure: 4.96E-09 mmHg at 25 °C
XLogP3: 0.6
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 207.089543
MonoIsotopic Mass: 207.089543
Topological Polar Surface Area: 66.4
Heavy Atom Count: 15
Canonical SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)O
Isomeric SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
InChI: InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey: CBQJSKKFNMDLON-JTQLQIEISA-N
EINECS: 217-959-8
Product Categories: Amino Acids Derivatives; chiral; Amino Acid Derivatives; Amino Acids; Phenylalanine [Phe, F]; Amino Acids and Derivatives; Ac-Amino Acids; Amino Acids (N-Protected); Biochemistry; N-Acetyl-Amino acid series; Amino Acid Derivatives; Peptide Synthesis; Phenylalanine

N-Acetyl-L-phenylalanine Safety Profile

Safety Statements of N-Acetyl-L-phenylalanine (CAS NO.2018-61-3): 24/25
S24/25: Avoid contact with skin and eyes.
WGK Germany: 3

N-Acetyl-L-phenylalanine Specification

N-Acetyl-L-phenylalanine (CAS NO.2018-61-3) is also named as Acetyl-L-phenylalanine ; Acetylphenylalanine ; L-N-Acetylphenylalanine ; N-Acetylphenylalanine ; NSC 45699 ; Alanine, N-acetyl-3-phenyl-, L- (8CI) ; L-Phenylalanine, N-acetyl- ; N-Acetyl-3-phenyl-L-alanine . It is white to off-white fine cryst. powder or needles.

Product Name

N-Acetyl-L-phenylalanine

Synthetic route

N-Acetyl-L-phenylalanine Chemical Properties

N-Acetyl-L-phenylalanine Safety Profile

N-Acetyl-L-phenylalanine Specification

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