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5544-24-1

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Basic Information
CAS No.: 5544-24-1
Name: Benzoic acid, 2-amino-3-methoxy-4-methyl-, methyl ester
Molecular Structure:
Molecular Structure of 5544-24-1 (Benzoic acid, 2-amino-3-methoxy-4-methyl-, methyl ester)
Formula: C10H13NO3
Molecular Weight: 195.218
Synonyms: Methyl 2-amino-3-methoxy-4-methyl-benzoate;2-Amino-3-methoxy-4-methyl-benzoic acid methyl ester;
Density: 1.149 g/cm3
Melting Point: 89.0-90.5 °C
Boiling Point: 298.516 °C at 760 mmHg
Flash Point: 131.387 °C
PSA: 61.55000
LogP: 1.95360
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  • Benzoic acid, 2-amino-3-methoxy-4-methyl-, methyl ester

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    Benzoic acid, 2-amino-3-methoxy-4-methyl-, methyl ester

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    2-amino-3-methoxy-4-methyl-Benzoic acid methyl ester

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Specification

The Benzoic acid, 2-amino-3-methoxy-4-methyl-, methyl ester, with the CAS registry number 5544-24-1, is also known as 2-Amino-3-methoxy-4-methyl-benzoic acid methyl ester. This chemical's molecular formula is C10H13NO3 and molecular weight is 195.22. What's more, its systematic name is methyl 2-amino-3-methoxy-4-methylbenzoate.

Physical properties of Benzoic acid, 2-amino-3-methoxy-4-methyl-, methyl ester are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 176.863; (6)ACD/BCF (pH 7.4): 176.988; (7)ACD/KOC (pH 5.5): 1413.765; (8)ACD/KOC (pH 7.4): 1414.768; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.55 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 53.766 cm3; (15)Molar Volume: 169.884 cm3; (16)Polarizability: 21.314×10-24cm3; (17)Surface Tension: 41.919 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 131.387 °C; (20)Enthalpy of Vaporization: 53.844 kJ/mol; (21)Boiling Point: 298.516 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(C=C1)C(=O)OC)N)OC
(2)InChI: InChI=1S/C10H13NO3/c1-6-4-5-7(10(12)14-3)8(11)9(6)13-2/h4-5H,11H2,1-3H3
(3)InChIKey: XVLLLUHQLBAQGR-UHFFFAOYSA-N