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