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Name |
Benzeneacetic acid, a-amino-4-methyl- |
EINECS | N/A |
CAS No. | 13227-01-5 | Density | 1.2 g/cm3 |
PSA | 63.32000 | LogP | 1.77970 |
Solubility | N/A | Melting Point |
256-257°C |
Formula | C9H11NO2 | Boiling Point | 306.8 °C at 760 mmHg |
Molecular Weight | 165.192 | Flash Point | 139.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Glycine,2-p-tolyl- (7CI,8CI);4-Methyl-C-phenylglycine;4-Methylphenylglycine; |
Article Data | 7 |
The Benzeneacetic acid, a-amino-4-methyl-, with CAS registry number 13227-01-5, belongs to the following product category: Pharmacetical. It has the systematic name of amino(4-methylphenyl)acetic acid. Besides this, it is also called 2-Amino-2-(4-methylphenyl)acetic acid. And the chemical formula of this chemical is C9H11NO2.
Physical properties of Benzeneacetic acid, a-amino-4-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: 139.3 °C; (20)Enthalpy of Vaporization: 57.79 kJ/mol; (21)Boiling Point: 306.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000329 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)c1ccc(cc1)C
(2)InChI: InChI=1/C9H11NO2/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
(3)InChIKey: RZRRCPHBUKHOEY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H11NO2/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
(5)Std. InChIKey: RZRRCPHBUKHOEY-UHFFFAOYSA-N