CAS No.1190-32-5,CHLOROACETYL-DL-ALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1190-32-5
Name:	CHLOROACETYL-DL-ALANINE

Formula:	C₅H₈ClNO₃
Molecular Weight:	165.576
Synonyms:	Alanine,N-(chloroacetyl)-, DL- (8CI);N-Chloroacetyl-DL-alanine;
EINECS:	214-721-5
Density:	1.341 g/cm³
Melting Point:	125 °C
Boiling Point:	401.5 °C at 760 mmHg
Flash Point:	196.6 °C
Solubility:	almost transparency
Hazard Symbols:	Xn
Risk Codes:	R20/21/22; R36/37/38
PSA:	66.40000
LogP:	0.20540

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Specification

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