Boc-L-alanine amide supplier | CasNO.85642-13-3

Name
BOC-ALA-NH2
EINECS 1533716-785-6
CAS No. 85642-13-3
Article Data1
CAS DataBase
Density 1.081 g/cm³
Solubility at 25 deg C (mg/L): 4089 in water
Melting Point 124-125 °C
Formula C₈H₁₆N₂O₃
Boiling Point 343.1 °C at 760 mmHg
Molecular Weight 188.227
Flash Point 161.3 °C
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (2-amino-1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester, (S)-;Carbamicacid, [(1S)-2-amino-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI);N-(tert-Butoxycarbonyl)alaninamide;tert-Butyl((1S)-2-amino-1-methyl-2-oxoethyl)carbamate;tert-Butyl((S)-1-amino-1-oxopropan-2-yl)carbamate;Boc-Ala-NH2;
PSA 81.42000
LogP 1.47610

Boc-L-alanine amide Specification

The Carbamic acid,N-[(1S)-2-amino-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester with the CAS number 85642-13-3 is also called Carbamicacid, (2-amino-1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester, (S)-. The systematic name is N²-(tert-butoxycarbonyl)-L-alaninamide. Its molecular formula is C₈H₁₆N₂O₃.

The properties of the Carbamic acid,N-[(1S)-2-amino-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.81; (8)ACD/KOC (pH 7.4): 28.81; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 47.97 cm³; (15)Molar Volume: 174.1 cm³; (16)Polarizability: 19.01×10^-24cm³; (17)Surface Tension: 37 dyne/cm; (18)Enthalpy of Vaporization: 58.7 kJ/mol; (19)Vapour Pressure: 7.19×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)N)C
(2)InChI: InChI=1/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m0/s1
(3)InChIKey: GZKKSKKIABUUCX-YFKPBYRVBM

Product Name

BOC-ALA-NH2

Boc-L-alanine amide Specification

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