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Basic Information
CAS No.: 2260-12-0
Name: 2-AMINO-3-PHENYL-BUTYRIC ACID
Molecular Structure:
Molecular Structure of 2260-12-0 (2-AMINO-3-PHENYL-BUTYRIC ACID)
Formula: C10H13NO2
Molecular Weight: 179.219
Synonyms: 2-Azanyl-3-phenyl-butanoic acid;
Density: 1.158 g/cm3
Boiling Point: 306 °C at 760 mmHg
Flash Point: 138.9 °C
PSA: 63.32000
LogP: 1.90230
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Specification

The Phenylalanine, beta-methyl-, with the CAS registry number of 2260-12-0, is also known as 2-Azanyl-3-phenyl-butanoic acid. This chemical's molecular formula is C10H13NO2 and molecular weight is 179.22. What's more, its IUPAC name is 2-Amino-3-phenylbutanoic acid.

Physical properties about Phenylalanine, beta-methyl- the are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): -1.04; (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: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 50.12 cm3; (15)Molar Volume: 154.6 cm3; (16)Surface Tension: 49.4 dyne/cm; (17)Density: 1.158 g/cm3; (18)Flash Point: 138.9 °C; (19)Enthalpy of Vaporization: 57.71 kJ/mol; (20)Boiling Point: 306 °C at 760 mmHg; (21)Vapour Pressure: 0.000345 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)C(c1ccccc1)C
(2) InChI: InChI=1/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)
(3) InChIKey: IRZQDMYEJPNDEN-UHFFFAOYAH