Name: 3-AMINO-3-(3-CHLORO-PHENYL)-PROPIONIC ACID
SKU: 68208-21-9

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Basic Information

Molecular Structure:
CAS No.:	68208-21-9
Name:	3-AMINO-3-(3-CHLORO-PHENYL)-PROPIONIC ACID
Article Data:	9

Formula:	C₉H₁₀ClNO₂
Molecular Weight:	199.637
Synonyms:	b-Amino-3-chlorobenzenepropanoicacid;DL--(3-Chlorophenyl)alanine;3-(3-Chlorophenyl)-DL-Beta-alanine;DL-3-Amino-3-(3-chloro-phenyl)-propionic acid;
EINECS:	-0
Density:	1.333 g/cm³
Melting Point:	222-224 °C
Boiling Point:	334.7 °C at 760 mmHg
Flash Point:	156.2 °C
Appearance:	Solid
Safety:	24/25
PSA:	63.32000
LogP:	2.51480

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Specification

The CAS register number of Benzenepropanoic acid, b-amino-3-chloro- is 68208-21-9. It also can be called as DL--(3-Chlorophenyl)alanine and the systematic name about this chemical is 3-amino-3-(3-chlorophenyl)propanoic acid. The molecular formula about this chemical is C₉H₁₀ClNO₂ and the molecular weight is 199.63. It belongs to the following product categorie which include B-Amino.

Physical properties about Benzenepropanoic acid, b-amino-3-chloro- are: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): -0.99; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.588; (13)Molar Refractivity: 50.43 cm³; (14)Molar Volume: 149.7 cm³; (15)Polarizability: 19.99x10^-24cm³; (16)Surface Tension: 55.6 dyne/cm; (17)Density: 1.333 g/cm³; (18)Flash Point: 156.2 °C; (19)Enthalpy of Vaporization: 60.98 kJ/mol; (20)Boiling Point: 334.7 °C at 760 mmHg; (21)Vapour Pressure: 4.95E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
When you are using this chemical, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1)C(N)CC(=O)O
(2)InChI: InChI=1/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
(3)InChIKey: LIDRHPCWOYOBIZ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
(5)Std. InChIKey: LIDRHPCWOYOBIZ-UHFFFAOYSA-N