b-Alanine, N-(2-chloroacetyl)- supplier

Name
CHLOROAC-BETA-ALA-OH
EINECS
CAS No. 4596-38-7
Density 1.341 g/cm³
Solubility
Melting Point 91 °C
Formula C₅H₈ClNO₃
Boiling Point 401.5 °C at 760 mmHg
Molecular Weight 165.576
Flash Point 196.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms b-Alanine, N-(chloroacetyl)- (6CI,7CI,8CI,9CI);N-(Chloroacetyl)alanine;
PSA 66.40000
LogP 0.20700

b-Alanine, N-(2-chloroacetyl)- Specification

The b-Alanine, N-(2-chloroacetyl)-, with the CAS registry number 4596-38-7, is also known as Chloroacetyl-B-alanine and b-Alanine, N-(chloroacetyl)- (6CI,7CI,8CI,9CI). This chemical's molecular formula is C₅H₈ClNO₃ and molecular weight is165.5749. What's more, its systematic name is N-(Chloroacetyl)alanine.

Physical properties about this chemical are: (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: 13.95×10-24 cm³; (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

Product Name

CHLOROAC-BETA-ALA-OH

b-Alanine, N-(2-chloroacetyl)- Specification

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