Name: hydroxy-[(4-methylpyridin-2-yl)amino]-oxo-azanium
SKU: 33245-30-6

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Basic Information

Molecular Structure:
CAS No.:	33245-30-6
Name:	hydroxy-[(4-methylpyridin-2-yl)amino]-oxo-azanium
Article Data:	5

Formula:	C₆H₇N₃O₂
Molecular Weight:	153.14
Synonyms:	(2E)-4-Methyl-N-nitropyridin-2(1H)-imine;2(1H)-pyridinimine, 4-methyl-N-nitro-, (2E)-;2-Pyridinamine, 4-methyl-N-nitro-;4-Methyl-N-nitropyridin-2-amin;4-Methyl-N-nitropyridin-2-amine;Hydroxy-[(4-methylpyridin-2-yl)amino]-oxo-azanium;Nsc522551;
Density:	1.335 g/cm³
Boiling Point:	300.2 °C at 760 mmHg
Flash Point:	135.4 °C
PSA:	70.74000
LogP:	1.58980

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Specification

This chemical is called N-(4-Methylpyridin-2-yl)nitramide, and its systematic name is 4-methyl-N-nitropyridin-2-amine. With the molecular formula of C₆H₇N₃O₂, its molecular weight is 153.14. In addition, the CAS registry number of this chemical is 33245-30-6.

Other characteristics of the N-(4-Methylpyridin-2-yl)nitramide can be summarised as followings: (1)XLogP3-AA: 1.7; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 1; (4)Tautomer Count: 2; (5)Exact Mass: 153.053826; (6)MonoIsotopic Mass: 153.053826; (7)Topological Polar Surface Area: 70.7; (8)Heavy Atom Count: 11; (9)Formal Charge: 0; (10)Complexity: 145; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)ACD/LogP: 0.54; (18)# of Rule of 5 Violations: 0; (19)ACD/LogD (pH 5.5): 1.06; (20)ACD/LogD (pH 7.4): 1.06; (21)ACD/BCF (pH 5.5): 3.76; (22)ACD/BCF (pH 7.4): 3.76; (23)ACD/KOC (pH 5.5): 89.78; (24)ACD/KOC (pH 7.4): 89.78; (25)#H bond acceptors: 5; (26)#H bond donors: 1; (27)#Freely Rotating Bonds: 0; (28)Polar Surface Area: 61.95 Å²; (29)Index of Refraction: 1.617; (30)Molar Refractivity: 40.16 cm³; (31)Molar Volume: 114.6 cm³; (32)Polarizability: 15.92×10^-24cm³; (33)Surface Tension: 58.2 dyne/cm; (34)Density: 1.335 g/cm³; (35)Flash Point: 135.4 °C; (36)Enthalpy of Vaporization: 54.03 kJ/mol; (37)Boiling Point: 300.2 °C at 760 mmHg; (38)Vapour Pressure: 0.00114 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])Nc1nccc(c1)C
(2)InChI: InChI=1/C6H7N3O2/c1-5-2-3-7-6(4-5)8-9(10)11/h2-4H,1H3,(H,7,8)
(3)InChIKey: ABONABAGPPZJFF-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H7N3O2/c1-5-2-3-7-6(4-5)8-9(10)11/h2-4H,1H3,(H,7,8)
(5)Std. InChIKey: ABONABAGPPZJFF-UHFFFAOYSA-N