2-Amino-2-(4-bromophenyl)acetic acid supplier

Name
2-AMINO-2-(4-BROMOPHENYL)ACETIC ACID
EINECS
CAS No. 71079-03-3
Article Data10
CAS DataBase
Density 1.673g/cm³
Solubility
Melting Point 273-274°C
Formula C₈H₈BrNO₂
Boiling Point 363.2 °C at 760 mmHg
Molecular Weight 230.061
Flash Point 173.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (Amino)(4-bromophenyl)aceticacid;
PSA 63.32000
LogP 2.23380

2-Amino-2-(4-bromophenyl)acetic acid Specification

The Benzeneacetic acid, α-amino-4-bromo-, with CAS registry number 71079-03-3, belongs to the following product category: Pharmacetical. It has the systematic name of amino(4-bromophenyl)acetic acid. And the chemical formula of this chemical is C₈H₈BrNO₂.

Physical properties of Benzeneacetic acid, α-amino-4-bromo-: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): -0.79; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 48.59 cm³; (15)Molar Volume: 137.4 cm³; (16)Polarizability: 19.26×10^-24cm³; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.673 g/cm³; (19)Flash Point: 173.5 °C; (20)Enthalpy of Vaporization: 64.29 kJ/mol; (21)Boiling Point: 363.2 °C at 760 mmHg; (22)Vapour Pressure: 6.51E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C(N)C(=O)O
(2)InChI: InChI=1/C8H8BrNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(3)InChIKey: APLQICUORRMFHY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H8BrNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(5)Std. InChIKey: APLQICUORRMFHY-UHFFFAOYSA-N

Product Name

2-AMINO-2-(4-BROMOPHENYL)ACETIC ACID

2-Amino-2-(4-bromophenyl)acetic acid Specification

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