4-Amino-2-methylbenzoic acid methyl ester supplier

Name
Methyl4-amino-2-methylbenzoate
EINECS
CAS No. 6933-47-7
Article Data14
CAS DataBase
Density 1.132 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₂
Boiling Point 302.417 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 157.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Toluicacid, 4-amino-, methyl ester (6CI,7CI,8CI);4-Amino-2-methylbenzoic acid methylester;Methyl 4-amino-2-methylbenzoate;
PSA 52.32000
LogP 1.94500

4-Amino-2-methylbenzoic acid methyl ester Specification

The 4-Amino-2-methylbenzoic acid methyl ester with the CAS number 6933-47-7 is also called Benzoic acid,4-amino-2-methyl-, methyl ester. The systematic name is methyl 4-amino-2-methylbenzoate. Its molecular formula is C₉H₁₁NO₂. This chemical belongs to the following product categories: (1)Esters; (2)Phenyls & Phenyl-Het.

The properties of the 4-Amino-2-methylbenzoic acid methyl ester are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 249; (8)ACD/KOC (pH 7.4): 249; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.32Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 47.087 cm³; (15)Molar Volume: 145.882 cm³; (16)Polarizability: 18.667×10^-24cm³; (17)Surface Tension: 43.945 dyne/cm; (18)Enthalpy of Vaporization: 54.263 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1c(cc(N)cc1)C
(2)InChI: InChI=1/C9H11NO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,10H2,1-2H3
(3)InChIKey: NRTWXBXJSGGTTE-UHFFFAOYAY

Product Name

Methyl4-amino-2-methylbenzoate

4-Amino-2-methylbenzoic acid methyl ester Specification

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