N-tert-Butoxycarbonyl-L-alanine methyl ester supplier

Name
BOC-L-ALANINE METHYL ESTER
EINECS 1533716-785-6
CAS No. 28875-17-4
Article Data4
CAS DataBase
Density 1.051 g/cm³
Solubility
Melting Point 32-35 °C(lit.)
Formula C₉H₁₇NO₄
Boiling Point 277.793 °C at 760 mmHg
Molecular Weight 203.238
Flash Point 121.805 °C
Transport Information
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Molecular Structure
Hazard Symbols
Synonyms Alanine,N-carboxy-, N-tert-butyl methyl ester, L- (8CI);BOC-L-Alanine methyl ester;Boc-Ala-OMe;Methyl (S)-2-(tert-butoxycarbonylamino)propanoate;N-(tert-Butyloxycarbonyl)-L-alanine methyl ester;
PSA 64.63000
LogP 1.46350

N-tert-Butoxycarbonyl-L-alanine methyl ester Specification

The L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, with the CAS registry number 28875-17-4, is also known as (S)-Methyl 2-(tert-butoxycarbonylamino)propanoate. This chemical's molecular formula is C₉H₁₇NO₄ and molecular weight is 203.23558. Its IUPAC name is called methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Physical properties of L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 9; (5)ACD/BCF (pH 7.4): 9; (6)ACD/KOC (pH 5.5): 169; (7)ACD/KOC (pH 7.4): 169; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.439; (12)Molar Refractivity: 50.814 cm³; (13)Molar Volume: 193.302 cm³; (14)Surface Tension: 32.102 dyne/cm; (15)Density: 1.051 g/cm³; (16)Flash Point: 121.805 °C; (17)Enthalpy of Vaporization: 51.638 kJ/mol; (18)Boiling Point: 277.793 °C at 760 mmHg; (19)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)OC)NC(=O)OC(C)(C)C
(2)InChI: InChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)
(3)InChIKey: GJDICGOCZGRDFM-UHFFFAOYSA-N

Product Name

BOC-L-ALANINE METHYL ESTER

N-tert-Butoxycarbonyl-L-alanine methyl ester Specification

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