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Benzeneacetic acid, a-amino-2-methyl-

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Name

Benzeneacetic acid, a-amino-2-methyl-

EINECS N/A
CAS No. 129592-98-9 Density 1.2 g/cm3
PSA 63.32000 LogP 1.77970
Solubility N/A Melting Point 234-238℃ (decomposition)
Formula C9H11NO2 Boiling Point 307.6 °C at 760 mmHg
Molecular Weight 165.192 Flash Point 139.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 129592-98-9 (AMINO-O-TOLYL-ACETIC ACID) Hazard Symbols N/A
Synonyms

Benzeneaceticacid, a-amino-2-methyl-, (?à)-;

Article Data 3

Benzeneacetic acid, a-amino-2-methyl- Specification

The Benzeneacetic acid, a-amino-2-methyl-, with CAS registry number 129592-98-9, belongs to the following product categories: (1)Glycinescaffold; (2)Pharmacetical. It has the systematic name of amino(2-methylphenyl)acetic acid. And the chemical formula of this chemical is C9H11NO2.

Physical properties of Benzeneacetic acid, a-amino-2-methyl-: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -1.1; (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: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 45.72 cm3; (15)Molar Volume: 137.5 cm3; (16)Polarizability: 18.12×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 139.9 °C; (20)Enthalpy of Vaporization: 57.89 kJ/mol; (21)Boiling Point: 307.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00031 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)c1ccccc1C
(2)InChI: InChI=1/C9H11NO2/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
(3)InChIKey: FLYIRERUSAMCDQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H11NO2/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
(5)Std. InChIKey: FLYIRERUSAMCDQ-UHFFFAOYSA-N

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