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16357-44-1
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Basic Information
CAS No.: 16357-44-1
Name: ETHYL 3-AMINO-4-METHOXYBENZOATE
Article Data: 4
Molecular Structure:
Molecular Structure of 16357-44-1 (ETHYL 3-AMINO-4-METHOXYBENZOATE)
Formula: C10H13NO3
Molecular Weight: 195.218
Synonyms: p-Anisicacid, 3-amino-, ethyl ester (8CI);Ethyl 3-amino-p-anisate;Ethyl 3-amino-4-methoxybenzoate;
Density: 1.148 g/cm3
Boiling Point: 337.981 °C at 760 mmHg
Flash Point: 167.247 °C
PSA: 61.55000
LogP: 2.03530
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Specification

The Benzoic acid,3-amino-4-methoxy-, ethyl ester, with the CAS registry number 16357-44-1, is also known as Ethyl 3-amino-p-anisate. This chemical's molecular formula is C10H13NO3 and molecular weight is 195.22. What's more, its systematic name is Ethyl 3-amino-4-methoxybenzoate and it belongs to the product category of Aromatic Esters.

Physical properties of Benzoic acid,3-amino-4-methoxy-, ethyl ester are: (1)ACD/LogP: 2.02; (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): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 242; (8)ACD/KOC (pH 7.4): 245; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.55 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 53.574 cm3; (15)Molar Volume: 170.115 cm3; (16)Polarizability: 21.238×10-24 cm3; (17)Surface Tension: 42.523 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 167.247 °C; (20)Enthalpy of Vaporization: 58.129 kJ/mol; (21)Boiling Point: 337.981 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(ccc1OC)C(=O)OCC
(2)InChI: InChI=1S/C10H13NO3/c1-3-14-10(12)7-4-5-9(13-2)8(11)6-7/h4-6H,3,11H2,1-2H3
(3)InChIKey: FEWCDEPEMGXGFK-UHFFFAOYSA-N