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1657-32-5

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Basic Information
CAS No.: 1657-32-5
Name: 1-oxidopyridin-5-amine
Article Data: 12
Molecular Structure:
Molecular Structure of 1657-32-5 (1-oxidopyridin-5-amine)
Formula: C5H6N2O
Molecular Weight: 110.115
Synonyms: 1-Oxidopyridin-5-amine;NSC 60496;
Density: 1.23 g/cm3
Melting Point: 121-124 °C
Boiling Point: 396 °C at 760 mmHg
Flash Point: 193.3 °C
PSA: 51.48000
LogP: 1.27850
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Specification

The 3-Pyridinamine, 1-oxide, with the CAS registry number 1657-32-5, is also known as 1-Oxidopyridin-5-amine. Its EINECS registry number is 1657-32-5. This chemical's molecular formula is C5H6N2O and molecular weight is 110.1139.

Physical properties about 3-Pyridinamine, 1-oxide are: (1)ACD/LogP: -2.48; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.06; (8)ACD/KOC (pH 7.4): 1.06; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.35 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 29.75 cm3; (15)Molar Volume: 88.9 cm3; (16)Surface Tension: 52.4 dyne/cm; (17)Density: 1.23 g/cm3; (18)Flash Point: 193.3 °C ; (19)Enthalpy of Vaporization: 64.62 kJ/mol; (20)Boiling Point: 396 °C at 760 mmHg; (21)Vapour Pressure: 1.77E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]1cccc(N)c1
(2) InChI: InChI=1/C5H6N2O/c6-5-2-1-3-7(8)4-5/h1-4H,6H2
(3) InChIKey: ZGIBIGDAAQIUKA-UHFFFAOYAS