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Basic Information
CAS No.: 639807-18-4
Name: 2-Cyclopropylaminonicotinic acid
Article Data: 5
Molecular Structure:
Molecular Structure of 639807-18-4 (2-Cyclopropylaminonicotinic acid)
Formula: C9H10N2O2
Molecular Weight: 178.191
Synonyms: 2-(cyclopropylamino)pyridine-3-carboxylic acid;
Density: 1.438 g/cm3
Boiling Point: 380.053 °C at 760 mmHg
Flash Point: 183.65 °C
PSA: 62.22000
LogP: 1.42710
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Specification

The 2-Cyclopropylaminonicotinic acid is the organic compound with the formula C9H10N2O2. With the CAS registry number 639807-18-4, its systematic name is 2-(cyclopropylamino)pyridine-3-carboxylic acid.

Physical properties of 2-Cyclopropylaminonicotinic acid: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 7.4): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.703; (11)Molar Refractivity: 48.083 cm3; (12)Molar Volume: 123.933 cm3; (13)Surface Tension: 79.251 dyne/cm; (14)Density: 1.438 g/cm3; (15)Flash Point: 183.65 °C; (16)Enthalpy of Vaporization: 66.261 kJ/mol; (17)Boiling Point: 380.053 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cccnc2NC1CC1
(2)InChI: InChI=1/C9H10N2O2/c12-9(13)7-2-1-5-10-8(7)11-6-3-4-6/h1-2,5-6H,3-4H2,(H,10,11)(H,12,13)
(3)InChIKey: QVDNJGOBMXAPSJ-UHFFFAOYAP