CAS No.1991-79-3,2-AMINO-3-(2-BROMO-PHENYL)-PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1991-79-3
Name:	2-AMINO-3-(2-BROMO-PHENYL)-PROPIONIC ACID
Article Data:	1

Formula:	C₉H₁₀BrNO₂
Molecular Weight:	244.088
Synonyms:	Alanine,3-(o-bromophenyl)- (7CI,8CI);2-Bromophenylalanine;
Density:	1.588 g/cm³
Boiling Point:	363.2 °C at 760 mmHg
Flash Point:	173.4 °C
PSA:	63.32000
LogP:	2.10380

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Specification

The CAS register number of 2-Bromophenylalanine is 1991-79-3. It also can be called as 2-Amino-3-(2-bromophenyl)propionic acid and the IUPAC name about this chemical is (2S)-2-amino-3-(2-bromophenyl)propanoic acid. The molecular formula about this chemical is C₉H₁₀BrNO₂ and molecular weight is 244.09.

Physical properties about 2-Bromophenylalanine are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): -0.61; (3)ACD/LogD (pH 7.4): -0.64; (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: 29.54Å²; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 53.18 cm³; (14)Molar Volume: 153.6 cm³; (15)Polarizability: 21.08x10^-24cm³; (16)Surface Tension: 57.1 dyne/cm; (17)Enthalpy of Vaporization: 64.28 kJ/mol; (18)Boiling Point: 363.2 °C at 760 mmHg; (19)Vapour Pressure: 6.53E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1CC(C(=O)O)N
(2)InChI: InChI=1/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
(3)InChIKey: JFVLNTLXEZDFHW-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
(5)Std. InChIKey: JFVLNTLXEZDFHW-UHFFFAOYSA-N