Benzoic acid,4-amino-3,5-dimethyl-, methyl ester supplier

Name
4-AMINO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER
EINECS
CAS No. 3095-48-5
Article Data10
CAS DataBase
Density 1.105 g/cm³
Solubility
Melting Point 106-107℃
Formula C₁₀H₁₃NO₂
Boiling Point 331.341 °C at 760 mmHg
Molecular Weight 179.219
Flash Point 180.604 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(Carbomethoxy)-2,6-dimethylaniline;4-Amino-3,5-dimethylbenzoic acid methyl ester;Methyl 4-amino-3,5-dimethylbenzoate;
PSA 52.32000
LogP 2.25340

Benzoic acid,4-amino-3,5-dimethyl-, methyl ester Specification

The Benzoic acid,4-amino-3,5-dimethyl-, methyl ester, with the CAS registry number 3095-48-5, is also known as 4-Amino-3,5-dimethylbenzoic acid methyl ester. This chemical's molecular formula is C₁₀H₁₃NO₂ and molecular weight is 179.22. What's more, its systematic name is Methyl 4-amino-3,5-dimethylbenzoate.

Physical properties of Benzoic acid,4-amino-3,5-dimethyl-, methyl ester are: (1)ACD/LogP: 2.04; (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): 35; (6)ACD/BCF (pH 7.4): 35; (7)ACD/KOC (pH 5.5): 443; (8)ACD/KOC (pH 7.4): 443; (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: 1.553; (14)Molar Refractivity: 51.912 cm³; (15)Molar Volume: 162.157 cm³; (16)Polarizability: 20.58×10^-24cm³; (17)Surface Tension: 42.179 dyne/cm; (18)Density: 1.105 g/cm³; (19)Flash Point: 180.604 °C; (20)Enthalpy of Vaporization: 57.4 kJ/mol; (21)Boiling Point: 331.341 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(c(N)c(c1)C)C
(2)InChI: InChI=1/C10H13NO2/c1-6-4-8(10(12)13-3)5-7(2)9(6)11/h4-5H,11H2,1-3H3
(3)InChIKey: ARSRTLJLMXSRPV-UHFFFAOYSA-N

Product Name

4-AMINO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER

Benzoic acid,4-amino-3,5-dimethyl-, methyl ester Specification

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