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Name |
Alanine,N-(chloroacetyl)- (9CI) |
EINECS | 214-721-5 |
CAS No. | 1190-32-5 | Density | 1.341 g/cm3 |
PSA | 66.40000 | LogP | 0.20540 |
Solubility | almost transparency | Melting Point |
125 °C |
Formula | C5H8ClNO3 | Boiling Point | 401.5 °C at 760 mmHg |
Molecular Weight | 165.576 | Flash Point | 196.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | R20/21/22; R36/37/38 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Alanine,N-(chloroacetyl)-, DL- (8CI);N-Chloroacetyl-DL-alanine; |
The Alanine,N-(chloroacetyl)- (9CI), with the CAS registry number 1190-32-5 and EINECS registry number 214-721-5, has the systematic name of N-(chloroacetyl)alanine. And the molecular formula of this chemical is C5H8ClNO3. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Alanine,N-(chloroacetyl)- (9CI) are as following: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.02; (4)ACD/LogD (pH 7.4): -4.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 35.21 cm3; (15)Molar Volume: 123.3 cm3; (16)Polarizability: 13.95×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.341 g/cm3; (19)Flash Point: 196.6 °C; (20)Enthalpy of Vaporization: 71.61 kJ/mol; (21)Boiling Point: 401.5 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)O)C)CCl
(2)InChI: InChI=1/C5H8ClNO3/c1-3(5(9)10)7-4(8)2-6/h3H,2H2,1H3,(H,7,8)(H,9,10)
(3)InChIKey: HTAQFYLADZNZHZ-UHFFFAOYAR