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752198-38-2

Basic Information
CAS No.: 752198-38-2
Name: (R)-3-Amino-3-(2-methyl-phenyl)-propionic acid
Article Data: 12
Molecular Structure:
Molecular Structure of 752198-38-2 ((R)-3-Amino-3-(2-methyl-phenyl)-propionic acid)
Formula: C10H13NO2
Molecular Weight: 179.219
Synonyms: (R)-3-Amino-3-(2-methylphenyl)propanoic acid;(3R)-3-Amino-3-(2-methylphenyl)propanoic acid;
EINECS: 200-582-5
Density: 1.163 g/cm3
Boiling Point: 326.3 °C at 760 mmHg
Flash Point: 151.2 °C
PSA: 63.32000
LogP: 2.16980
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    R-3-Amino-3-(2-methylphenyl)propionic acid

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The Benzenepropanoic acid, β-amino-2-methyl-, (βR)- is an organic compound with the formula C10H13NO2. The IUPAC name of this chemical is (3R)-3-Amino-3-(2-methylphenyl)propanoic acid. With the CAS registry number 752198-38-2, it is also named as (R)-3-Amino-3-(2-methyl-phenyl)-propionic acid. Besides, its molecular weight is 179.09.

The physical properties of Benzenepropanoic acid, β-amino-2-methyl-, (βR)- are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): -1.13; (3)ACD/LogD (pH 7.4): -1.13; (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: 29.54 Å2; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 50.36 cm3; (14)Molar Volume: 154 cm3; (15)Polarizability: 19.96×10-24 cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.163 g/cm3; (18)Flash Point: 151.2 °C; (19)Enthalpy of Vaporization: 60.02 kJ/mol; (20)Boiling Point: 326.3 °C at 760 mmHg; (21)Vapour Pressure: 8.82E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](N)c1ccccc1C
(2)InChI: InChI=1/C10H13NO2/c1-7-4-2-3-5-8(7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
(3)InChIKey: GORGZFRGYDIRJA-SECBINFHBL
(4)Std. InChI: InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
(5)Std. InChIKey: GORGZFRGYDIRJA-SECBINFHSA-N