CAS No.3537-14-2,5-Nitropyridine-2,3-diamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3537-14-2
Name:	5-Nitropyridine-2,3-diamine
Article Data:	12

Formula:	C₅H₆N₄O₂
Molecular Weight:	154.128
Synonyms:	2,3-Pyridinediamine, 5-nitro-;
EINECS:	256-495-9
Density:	1.555 g/cm³
Melting Point:	260 °C
Boiling Point:	476.1 °C at 760 mmHg
Flash Point:	241.7 °C
PSA:	110.75000
LogP:	1.83980

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Specification

The IUPAC name of 5-Nitropyridine-2,3-diamine is 5-Nitropyridine-2,3-diamine. With the CAS registry number 3537-14-2, it is also named as 2,3-Pyridinediamine, 5-nitro-. In addition, its molecular formula is C₅H₆N₄O₂ and its molecular weight is 154.13.

The other characteristics of 5-Nitropyridine-2,3-diamine can be summarized as: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 8.65; (6)ACD/BCF (pH 7.4): 8.67; (7)ACD/KOC (pH 5.5): 163.03; (8)ACD/KOC (pH 7.4): 163.28; (9)H bond acceptors: 6; (10)H bond donors: 4; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.19 Å²; (13)Index of Refraction: 1.725; (14)Molar Refractivity: 39.36 cm³; (15)Molar Volume: 99 cm³; (16)Polarizability: 15.6×10^-24cm³; (17)Surface Tension: 94.1 dyne/cm; (18)Density: 1.555 g/cm³; (19)Flash Point: 241.7 °C; (20)Enthalpy of Vaporization: 73.98 kJ/mol; (21)Boiling Point: 476.1 °C at 760 mmHg; (22)Vapour Pressure: 3.13E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:[O-][N+](=O)c1cnc(N)c(N)c1
(2)InChI:InChI=1/C5H6N4O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,6H2,(H2,7,8)
(3)InChIKey:JOQJNCSAEMIZOU-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C5H6N4O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,6H2,(H2,7,8)
(5)Std. InChIKey:JOQJNCSAEMIZOU-UHFFFAOYSA-N