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2-Amino-4-methoxybenzoic acid methyl ester

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Name

2-Amino-4-methoxybenzoic acid methyl ester

EINECS N/A
CAS No. 50413-30-4 Density 1.179 g/cm3
PSA 61.55000 LogP 1.64520
Solubility N/A Melting Point 116-118 °C
Formula C9H11NO3 Boiling Point 313.7 °C at 760 mmHg
Molecular Weight 181.191 Flash Point 158.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 50413-30-4 (2-AMINO-4-METHOXY-BENZOIC ACID METHYL ESTER) Hazard Symbols N/A
Synonyms

METHYL 2-AMINO-4-METHOXYBENZOATE;2-AMINO-4-METHOXY-BENZOIC ACID METHYL ESTER;methyl2-amino-4-methoxylbenzoate

Article Data 15

2-Amino-4-methoxybenzoic acid methyl ester Specification

The CAS register number of 2-Amino-4-methoxybenzoic acid methyl ester is 50413-30-4. It also can be called as benzoic acid, 2-amino-4-methoxy-, methyl ester and the systematic name about this chemical is methyl 2-amino-4-methoxybenzoate.

Physical properties about 2-Amino-4-methoxybenzoic acid methyl ester are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.04; (6)ACD/BCF (pH 7.4): 23.05; (7)ACD/KOC (pH 5.5): 328.79; (8)ACD/KOC (pH 7.4): 328.86; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.55Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 48.94 cm3; (15)Molar Volume: 153.6 cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.179 g/cm3; (18)Flash Point: 158.8 °C; (19)Enthalpy of Vaporization: 55.48 kJ/mol; (20)Boiling Point: 313.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000488 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: Nc1cc(OC)ccc1C(=O)OC
2.InChI: InChI=1/C9H11NO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,10H2,1-2H3 
3.InChIKey: CEKCJQBZVNIMLD-UHFFFAOYAQ
4.Std. InChI: InChI=1S/C9H11NO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,10H2,1-2H3

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