Benzeneacetic acid, 5-amino-2-methyl-, methyl ester supplier

Name
METHYL 2-(5-AMINO-2-METHYLPHENYL)ACETATE
EINECS
CAS No. 850449-93-3
Article Data7
CAS DataBase
Density 1.115 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₂
Boiling Point 298.288 °C at 760 mmHg
Molecular Weight 179.219
Flash Point 154.154 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-(5-amino-2-methyl-phenyl)acetate;Methyl (5-amino-2-methylphenyl)acetate;
PSA 52.32000
LogP 1.87390

Benzeneacetic acid, 5-amino-2-methyl-, methyl ester Specification

The Benzeneacetic acid, 5-amino-2-methyl-, methyl ester, with the CAS registry number 850449-93-3, is also known as Methyl (5-amino-2-methylphenyl)acetate. This chemical's molecular formula is C₁₀H₁₃NO₂and molecular weight is 179.22. What's more, its systematic name is methyl 2-(5-amino-2-methyl-phenyl)acetate.

Physical properties of Benzeneacetic acid, 5-amino-2-methyl-, methyl ester are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.948; (4)ACD/LogD (pH 7.4): 0.999; (5)ACD/BCF (pH 5.5): 3.009; (6)ACD/BCF (pH 7.4): 3.384; (7)ACD/KOC (pH 5.5): 74.032; (8)ACD/KOC (pH 7.4): 83.246; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 51.271 cm³; (15)Molar Volume: 160.795 cm³; (16)Polarizability: 20.325×10^-24cm³; (17)Surface Tension: 43.045 dyne/cm; (18)Density: 1.115 g/cm³; (19)Flash Point: 154.154 °C; (20)Enthalpy of Vaporization: 53.82 kJ/mol; (21)Boiling Point: 298.288 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1CC(=O)OC)N
(2)InChI: InChI=1S/C10H13NO2/c1-7-3-4-9(11)5-8(7)6-10(12)13-2/h3-5H,6,11H2,1-2H3
(3)InChIKey: SYZKUNVMYMRJSV-UHFFFAOYSA-N

Product Name

METHYL 2-(5-AMINO-2-METHYLPHENYL)ACETATE

Benzeneacetic acid, 5-amino-2-methyl-, methyl ester Specification

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