3-Methylaminopropionitrile supplier

Name
3-Methylaminopropionitrile
EINECS 211-740-0
CAS No. 693-05-0
Article Data25
CAS DataBase
Density 0.869 g/cm³
Solubility
Melting Point -21oC
Formula C₄H₈N₂
Boiling Point 180.7 °C at 760 mmHg
Molecular Weight 84.1209
Flash Point 63.1 °C
Transport Information
Appearance clear yellow liquid
Safety 26-36/37-37/39
Risk Codes 20/21-36/37/38
Molecular Structure
Hazard Symbols Xn, Xi
Synonyms Propionitrile,3-(methylamino)- (6CI,7CI,8CI);(2-Cyanoethyl)methylamine;3-(Methylamino)propanenitrile;3-(Methylamino)propionitrile;3-(N-Methylamino)propionitrile;3-Methylaminopropiononitrile;N-(2-Cyanoethyl)-N-methylamine;N-(2-Cyanoethyl)methylamine;N-(b-Cyanoethyl)methylamine;N-Methyl-2-cyanoethylamine;N-Methyl-N-(2-cyanoethyl)amine;N-Methyl-b-alaninenitrile;N-Methyl-b-aminopropionitrile;NSC 8399;b-(Methylamino)propionitrile;
PSA 35.82000
LogP 0.51038

Synthetic route

: 107-13-1
acrylonitrile

: 74-89-5
methylamine

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

Conditions

Conditions	Yield
With C12H18NO3S(1+)*HO4S(1-) at 25℃; for 0.0666667h; Ionic liquid; Neat (no solvent); chemoselective reaction;	99%
In methanol a) 0 deg C, 1 h, b) RT, overnight;	84%
In ethanol at 15℃; under 760.051 Torr;	83.5%

: 19836-78-3
3-methyl-2-oxo-1,3-oxazolidine

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

Conditions

Conditions	Yield
With potassium cyanide; 18-crown-6 ether at 100℃; for 8h; Neat (no solvent);	50%

: 67-56-1
methanol

: 107-13-1
acrylonitrile

: 74-89-5
methylamine

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

Conditions

Conditions	Yield
unter Kuehlung;
unter Kuehlung;

...Expand

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 16750-50-8
3-(methylamino)propanamidoxime

Conditions

Conditions	Yield
With hydroxylamine In ethanol; water at 20 - 50℃; for 27h;	99.5%
With hydroxylamine

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 97-00-7
1-chloro-2,4-dinitro-benzene

: 81676-70-2
2,4-dinitro-N-methyl-N-β-cyanoethylaniline

Conditions

Conditions	Yield
at 20℃; for 7h;	99%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 24424-99-5
di-tert-butyl dicarbonate

: 128304-84-7
t-butyl N-(2-cyanoethyl)-N-methylcarbamate

Conditions

Conditions	Yield
In dichloromethane	99%
In dichloromethane at 20℃; for 2h;	90%
In dichloromethane at 20℃; for 2h;	90%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 14223-45-1
p-tolyl isoselenocyanate

: 1332566-42-3
1-(2-cyanoethyl)-1-methyl-3-(4-tolyl)selenourea

Conditions

Conditions	Yield
With pyridine In toluene at 20℃; for 24h; Inert atmosphere;	99%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 246848-23-7
[4S-[4α,5β,6β(S*)]]-4-methyl-3-[[[(2-methylpropoxy)carbonyl]oxy]methyl]-7-oxo-6-[1-[(triethylsilyl)oxy]ethyl]-1-azabicyclo[3.2.0]hepten-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester

: C28H40N4O6Si

Conditions

Conditions	Yield
With 1,4-di(diphenylphosphino)-butane; tris(dibenzylideneacetone)dipalladium(0) chloroform complex In N,N-dimethyl-formamide at 20℃; for 12 - 36h;	98%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 104-12-1
p-chlorphenylisocyanate

: 91090-02-7
3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-methylurea

Conditions

Conditions	Yield
In benzene	96%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 49837-27-6
2,3-epoxy-2-methyl-1-phenylpropan-1-one

: 108440-19-3
2-Hydroxy-2-methyl-3--1-phenyl-1-propanone

Conditions

Conditions	Yield
In isopropyl alcohol for 15h; Heating;	96%

: 16234-14-3
2,4-dichlorothieno[3,2-d]pyrimidine

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 3-((2-chlorothieno-[3,2-d]pyrimidin-4-yl)(methyl)amino)propanenitrile

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In ethyl acetate at 20℃;	95%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 824-79-3
sodium 4-methylbenzenesulfinate

: 21230-34-2
N-(2-cyanoethyl)-N,4-dimethylbenzenesulfonamide

Conditions

Conditions	Yield
With iodine In water at 20℃; for 3h; Green chemistry;	93%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 82-34-8
1-nitroanthraquinone

: 82-38-2
1-(methylamino)anthraquinone

Conditions

Conditions	Yield
In butan-1-ol at 118℃; for 135h;	92%
In methanol at 130℃; for 13h; Rate constant; other solvent;

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 23680-84-4
2-chloro-6,7-dimethoxyquinazolin-4-amine

: 76362-28-2
N-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-methyl-2-cyanoethyl-amine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In butan-1-ol for 3h; Heating / reflux;	92%
In i-Amyl alcohol at 135 - 140℃; for 4h;	78%
In i-Amyl alcohol

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 5274-70-4
3-nitrosalicylic aldehyde

: 3-((2-hydroxy-3-nitrobenzyl)amino)propanenitrile

Conditions

Conditions	Yield
Stage #1: N-(2-cyanoethyl)-N-methylamine; 3-nitrosalicylic aldehyde In tetrahydrofuran for 0.25h; Stage #2: With sodium diacetoxy(acetyl)boranuide In tetrahydrofuran at 20℃; for 16h;	92%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 403-43-0
4-fluorobenzoyl chloride

: N-(2-cyanoethyl)-4-fluoro-N-methylbenzamide

Conditions

Conditions	Yield
With triethylamine In water; toluene at 20℃; for 1.5h;	92%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 2679-14-3
n-methyl-β-alanine

Conditions

Conditions	Yield
With sulfuric acid for 3h; Heating;	91%
With barium dihydroxide

: 4587-00-2
2-acetyl-2-methyloxirane

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 78563-49-2
4--3-hydroxy-3-methyl-2-butanone

Conditions

Conditions	Yield
In isopropyl alcohol for 15h; Heating;	91%

: 4524-93-0
Cyclopentanecarboxylic acid chloride

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 72104-46-2
N-(3-cyanopropyl)-N-methylcyclopentanecarboxamide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 1h; Ambient temperature;	91%

: 97-07-4
1-chloro-4-methanesulfonyl-2-nitrobenzene

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 81689-46-5
3-[(4-Methanesulfonyl-2-nitro-phenyl)-methyl-amino]-propionitrile

Conditions

Conditions	Yield
In butan-1-ol at 118℃; for 2h;	91%

: (η(5)-pentadienyl)Fe(CO)3(+)

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 166832-71-9
[(((2-5-η)-2,4-pentadienyl)methylamino)propionitrile]tricarbonyliro

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran N2-atmosphere; stirring (-40°C, 20 min, 25°C, 30 min); 50% EtOAc / hexanes addn., washing (H2O, brine), drying (MgSO4), concg.,chromy. (SiO2, 15% EtOAc / hexanes);	91%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 80745-07-9
4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride

: 1073697-24-1
N-(2-Cyanoethyl)-4-methoxy-N,2,3,6-tetramethylbenzenesulfonamide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 16h;	91%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: Fmoc-Glu(OH)-OtBu

: tert-butyl (2S)-4-[(2-cyanoethyl)(methyl)carbamoyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoate

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 In N,N-dimethyl-formamide at 20℃; for 3h;	91%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 105-36-2
ethyl bromoacetate

: 24286-82-6
[(2-cyanoethyl)methylamino]acetic acid ethyl ester

Conditions

Conditions	Yield
With potassium carbonate In butanone Heating;	88.9%
With potassium carbonate In butanone Heating;

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 142010-50-2
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl isocyanate

: 1-(2-Cyano-ethyl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-decyl)-1-methyl-urea

Conditions

Conditions	Yield
In diethyl ether for 2h; Ambient temperature;	88%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 126-81-8
dimedone

: 90043-98-4
3-<2-cyanoethyl(methyl)amino>-5,5-dimethylcyclohex-2-enone

Conditions

Conditions	Yield
In xylene for 3h; Heating;	87%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 5135-30-8
5'-tosyladenosine

: 72648-38-5
5'-<(2-cyanoethyl)methylamino>-5'-deoxyadenosine

Conditions

Conditions	Yield
at 20℃; for 120h;	87%
at 20℃; for 120h;	87%
for 120h; Ambient temperature;	80%
for 168h; Ambient temperature;	42%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 93-97-0
benzoic acid anhydride

: 23873-66-7
N-methyl-N-cyanoethyl benzamide

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane	87%

: 930-88-1
N-methylmaleimide

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 6313-36-6
benzyl thiosulphate

: 3-((4-(benzylthio)-1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)(methyl)amino)propanenitrile

Conditions

Conditions	Yield
With copper(l) iodide; oxygen In 1,2-dichloro-ethane at 100℃; for 24h; Schlenk technique;	86%
With copper(l) iodide; oxygen In 1,2-dichloro-ethane at 100℃; for 24h;	86%

...Expand

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 6-(tert-butyl)-2,4-dichlorothieno[3,2-d]pyrimidine

: 3-((6-(tert-butyl)-2-chlorothieno[3,2-d]pyrimidin-4-yl)(methyl)amino)propanenitrile

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;	86%

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 52559-36-1
4-bromonaphthalene-1,8-dicarboximide

: 89393-98-6
4-N-methylaminonaphthalimide

Conditions

Conditions	Yield
In methanol at 130℃; Rate constant; Kinetics; Thermodynamic data; sealed tube; other temperature;	85%
In methanol at 130℃; for 18h; sealed tube;	85%

: 3476-89-9
1,2,3,4-tetrahydroquinoxaline

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 3,3'-(quinoxaline-2,6-diylbis(methylazanediyl))dipropanenitrile

Conditions

Conditions	Yield
With pyridine; N-hydroxyphthalimide; oxygen; copper dichloride In N,N-dimethyl-formamide at 30℃; for 2h; chemoselective reaction;	85%

3-Methylaminopropionitrile Chemical Properties

Product Name: 3-Methylaminopropionitrile (CAS NO.693-05-0)

Molecular Formula: C₄H₈N₂
Molar mass: 84.11972 g/mol
Density: 0.869 g/cm³
Flash Point: 63.1 °C
Boiling Point: 180.7 °C at 760 mmHg
Index of Refraction: 1.412
Vapour Pressure: 0.883 mmHg at 25°C
Surface Tension: 30.5 dyne/cm
Enthalpy of Vaporization: 41.7 kJ/mol
Index of Refraction: 1.412 Molar Refractivity: 24.08 cm³
Molar Volume: 96.7 cm³
XLogP3-AA: -0.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 3-Methylaminopropionitrile (CAS NO.693-05-0):
IUPAC Name: 3-(methylamino)propanenitrile
Canonical SMILES: CNCCC#N
InChI: InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
InChIKey: UNIJBMUBHBAUET-UHFFFAOYSA-N
Product Categories: Industrial/Fine Chemicals

3-Methylaminopropionitrile Uses

3-Methylaminopropionitrile (CAS NO.693-05-0) can be used in organic synthesis.

3-Methylaminopropionitrile Production

Derived by the addition from acrylonitrile and methylamine . Add the methylamine - ethanol solution into the reaction pot,then stirring cooled to 5°C;maintaining 10-20°C, dropping acrylonitrile - ethanol solution about 3h end. At 15°C below to continue to respond 1h, atmospheric pressure steam to the ethanol, then vacuum distillation, collecting 112-115 (13.3kPa) fractions.

3-Methylaminopropionitrile Toxicity Data With Reference

1.		orl-rat LD50:3500 mg/kg		ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. 19 (1969),225.
2.		ipr-mus LD50:1400 mg/kg		ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. 19 (1969),225.

3-Methylaminopropionitrile Consensus Reports

Reported in EPA TSCA Inventory.

3-Methylaminopropionitrile Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NO_x.
Safety Information of 3-Methylaminopropionitrile (CAS NO.693-05-0):
Hazard Codes: Xn Harmful ,Xi Irritant Xi
Risk Statements: 20/21-36/37/38
R20/21:Harmful by inhalation and in contact with skin.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: TZ4910000
HazardClass: IRRITANT
HS Code: 29269095

3-Methylaminopropionitrile Specification

3-Methylaminopropionitrile , its CAS NO. is 693-05-0, the synonyms are (2-Cyanoethyl)methyl amine ; 3-(Methylamino)propionitrile ; Propanenitrile, 3-(methylamino)- ; eta-Methylaminopropionitril ; N-(2-Cyanoethyl)methylamine ; (Methylamino)propionitrile ; 3-(n-methylamino)propionitrile .

Product Name

3-Methylaminopropionitrile

Synthetic route

3-Methylaminopropionitrile Chemical Properties

3-Methylaminopropionitrile Uses

3-Methylaminopropionitrile Production

3-Methylaminopropionitrile Toxicity Data With Reference

3-Methylaminopropionitrile Consensus Reports

3-Methylaminopropionitrile Safety Profile

3-Methylaminopropionitrile Specification

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