(3R)-3-Amino-3-(3-bromophenyl)propanoic acid supplier

Name
(R)-3-(3-BROMOPHENYL)-BETA-ALANINE
EINECS
CAS No. 788153-27-5
Article Data14
CAS DataBase
Density 1.585 g/cm³
Solubility
Melting Point
Formula C₉H₁₀BrNO₂
Boiling Point 367.3 °C at 760 mmHg
Molecular Weight 244.088
Flash Point 176 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3R)-3-Amino-3-(3-bromophenyl)propanoic acid;(R)-3-(3-Bromophenyl)-β-alanine;(R)-3-Amino-3-(3-bromo-phenyl)-propionic acid;
PSA 63.32000
LogP 2.62390

(3R)-3-Amino-3-(3-bromophenyl)propanoic acid Specification

The Benzenepropanoic acid, β-amino-3-bromo-, (βR)- is an organic compound with the formula C₉H₁₀BrNO₂. The IUPAC name of this chemical is (3R)-3-Amino-3-(3-bromophenyl)propanoic acid. With the CAS registry number 788153-27-5, it is also named as (R)-3-(3-Bromophenyl)-β-alanine. Besides, its molecular weight is 244.09.

The physical properties of Benzenepropanoic acid, β-amino-3-bromo-, (βR)- are: (1)ACD/LogP: 1.68; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 29.54 Å²; (6)Index of Refraction: 1.607; (7)Molar Refractivity: 53.22 cm³; (8)Molar Volume: 153.9 cm³; (9)Polarizability: 21.1×10^-24 cm³; (10)Surface Tension: 57.2 dyne/cm; (11)Density: 1.585 g/cm³; (12)Flash Point: 176 °C; (13)Enthalpy of Vaporization: 64.76 kJ/mol; (14)Boiling Point: 367.3 °C at 760 mmHg; (15)Vapour Pressure: 4.83E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)[C@H](N)CC(=O)O
(2)InChI: InChI=1/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(3)InChIKey: RLYAXKJHJUXZOT-MRVPVSSYBR
(4)Std. InChI: InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(5)Std. InChIKey: RLYAXKJHJUXZOT-MRVPVSSYSA-N

Product Name

(R)-3-(3-BROMOPHENYL)-BETA-ALANINE

(3R)-3-Amino-3-(3-bromophenyl)propanoic acid Specification

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