2-Methyl-3-amino-4-acetylanisole supplier

Name
2-Methyl-3-amino-4-acetylanisole
EINECS 1312995-182-4
CAS No. 912347-94-5
Article Data8
CAS DataBase
Density 1.096 g/cm³
Solubility
Melting Point 107 °C
Formula C₁₀H₁₃NO₂
Boiling Point 336.02 °C at 760 mmHg
Molecular Weight 179.219
Flash Point 171.127 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Amino-3-methyl-4-methoxyphenyl)acetone;
PSA 52.32000
LogP 2.36960

2-Methyl-3-amino-4-acetylanisole Specification

The Ethanone,1-(2-amino-4-methoxy-3-methylphenyl)-, with CAS registry number 912347-94-5, belongs to the following product categories: (1)Drug Intermediates; (2)Multisubstituted Benzene; (3)Amino Acid Derivatives. It has the systematic name of 1-(2-amino-4-methoxy-3-methyl-phenyl)ethanone. And the chemical formula of this chemical is C₁₀H₁₃NO₂.

Physical properties of Ethanone,1-(2-amino-4-methoxy-3-methylphenyl)-: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.636; (4)ACD/LogD (pH 7.4): 1.636; (5)ACD/BCF (pH 5.5): 10.312; (6)ACD/BCF (pH 7.4): 10.314; (7)ACD/KOC (pH 5.5): 184.906; (8)ACD/KOC (pH 7.4): 184.938; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 52.02 cm³; (15)Molar Volume: 163.521 cm3; (16)Polarizability: 20.623×10^-24cm³; (17)Surface Tension: 40.535 dyne/cm; (18)Enthalpy of Vaporization: 57.913 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(ccc(c1N)C(=O)C)OC
(2)InChI: InChI=1/C10H13NO2/c1-6-9(13-3)5-4-8(7(2)12)10(6)11/h4-5H,11H2,1-3H3
(3)InChIKey: VXBGCEDOGYNWHE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H13NO2/c1-6-9(13-3)5-4-8(7(2)12)10(6)11/h4-5H,11H2,1-3H3
(5)Std. InChIKey: VXBGCEDOGYNWHE-UHFFFAOYSA-N

Product Name

2-Methyl-3-amino-4-acetylanisole

2-Methyl-3-amino-4-acetylanisole Specification

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