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Name |
D-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester |
EINECS | 1533716-785-6 |
CAS No. | 91103-47-8 | Density | 1.051 g/cm3 |
PSA | 64.63000 | LogP | 1.46350 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(tert-Butoxycarbonyl)-D-alaninemethyl ester;alanine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester;Boc-D-Alanine methyl ester; |
Article Data | 1 |
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