3-Amino-4-(4-chlorophenyl)butyric acid supplier

Name
3-AMINO-4-(4-CHLOROPHENYL)BUTANOIC ACID
EINECS
CAS No. 678969-20-5
Density 1.288 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂ClNO₂
Boiling Point 360.19 °C at 760 mmHg
Molecular Weight 213.664
Flash Point 171.637 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (RS)-3-Amino-4-(4-chlorophenyl)butanoicacid;
PSA 63.32000
LogP 2.38480

3-Amino-4-(4-chlorophenyl)butyric acid Specification

The 3-Amino-4-(4-chlorophenyl)butyric acid, with cas registry number 678969-20-5, has the systematic name of 3-amino-4-(4-chlorophenyl)butanoic acid. And it is also called benzenebutanoic acid, β-amino-4-chloro-.

Physical properties about this chemical are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 63.32 Å²; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 55.021 cm³; (13)Molar Volume: 165.895 cm³; (14)Polarizability: 21.812×10^-24cm³; (15)Surface Tension: 52.957 dyne/cm; (16)Enthalpy of Vaporization: 63.929 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(CC(N)CC(O)=O)cc1
(2)InChI: InChI=1/C10H12ClNO2/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)
(3)InChIKey: LCYHDQUYYVDIPY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H12ClNO2/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)
(5)Std. InChIKey: LCYHDQUYYVDIPY-UHFFFAOYSA-N

Product Name

3-AMINO-4-(4-CHLOROPHENYL)BUTANOIC ACID

3-Amino-4-(4-chlorophenyl)butyric acid Specification

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