CAS No.129592-98-9,AMINO-O-TOLYL-ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	129592-98-9
Name:	AMINO-O-TOLYL-ACETIC ACID
Article Data:	3

Formula:	C₉H₁₁NO₂
Molecular Weight:	165.192
Synonyms:	Benzeneaceticacid, a-amino-2-methyl-, (?à)-;
Density:	1.2 g/cm³
Melting Point:	234-238℃ (decomposition)
Boiling Point:	307.6 °C at 760 mmHg
Flash Point:	139.9 °C
PSA:	63.32000
LogP:	1.77970

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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