-
Name
BOC-D-ALA-OME
- EINECS 1533716-785-6
- CAS No. 91103-47-8
- Article Data1
- CAS DataBase
- Density 1.051 g/cm3
- Solubility
- Melting Point 34-37 °C(lit.)
- Formula C9H17NO4
- Boiling Point 277.8 °C at 760 mmHg
- Molecular Weight 203.238
- Flash Point 121.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms N-(tert-Butoxycarbonyl)-D-alaninemethyl ester;alanine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester;Boc-D-Alanine methyl ester;
- PSA 64.63000
- LogP 1.46350
D-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester Specification
The CAS register number of D-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester is 91103-47-8. It also can be called as alanine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester and the systematic name about this chemical is methyl N-(tert-butoxycarbonyl)-D-alaninate. The molecular formula about this chemical is C9H17NO4 and the molecular weight is 203.24.
Physical properties about D-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): 1.56; (3)ACD/LogD (pH 7.4): 1.56; (4)ACD/BCF (pH 5.5): 9.08; (5)ACD/BCF (pH 7.4): 9.08; (6)ACD/KOC (pH 5.5): 168.78; (7)ACD/KOC (pH 7.4): 168.76; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 50.81 cm3; (14)Molar Volume: 193.3 cm3; (15)Polarizability: 20.14x10-24cm3; (16)Surface Tension: 32.1 dyne/cm; (17)Enthalpy of Vaporization: 51.64 kJ/mol; (18)Boiling Point: 277.8 °C at 760 mmHg; (19)Vapour Pressure: 0.00443 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)OC)C
(2)InChI: InChI=1/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m1/s1
(3)InChIKey: GJDICGOCZGRDFM-ZCFIWIBFBU
(4)Std. InChI: InChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m1/s1
(5)Std. InChIKey: GJDICGOCZGRDFM-ZCFIWIBFSA-N
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