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(R)-3-Amino-3-(4-bromophenyl)propionic acid

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Name

(R)-3-Amino-3-(4-bromophenyl)propionic acid

EINECS N/A
CAS No. 479074-63-0 Density 1.585g/cm3
PSA 63.32000 LogP 2.62390
Solubility N/A Melting Point 258-260 °C(Solv: water (7732-18-5); acetone (67-64-1))
Formula C9H10BrNO2 Boiling Point 378.1 °C at 760 mmHg
Molecular Weight 244.088 Flash Point 182.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 479074-63-0 ((R)-3-Amino-3-(4-bromophenyl)propionic acid) Hazard Symbols N/A
Synonyms

(R)-b-Amino-b-(4-bromophenyl)propionic acid;(R)-3-Amino-3-(4-bromophenyl)propionic acid;

Article Data 3

(R)-3-Amino-3-(4-bromophenyl)propionic acid Specification

The (R)-3-Amino-3-(4-bromophenyl)propionic acid with the cas number 479074-63-0 is also called Benzenepropanoic acid, b-amino-4-bromo-, (bR)-. Its molecular formula is C9H10BrNO2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.607; (8)Molar Refractivity: 53.22 cm3; (9)Molar Volume: 153.9 cm3; (10)Polarizability: 21.1×10-24cm3; (11)Surface Tension: 57.2 dyne/cm; (12)Enthalpy of Vaporization: 66.03 kJ/mol; (13)Vapour Pressure: 2.17×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)[C@H](N)CC(=O)O
(2)InChI: InChI=1/C9H10BrNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(3)InChIKey: RBOUYDUXPMAYMJ-MRVPVSSYBO

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