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5-Nitropyridine-2,3-diamine (3537-14-2)

Identification
Name:5-Nitropyridine-2,3-diamine
Synonyms:2,3-Pyridinediamine, 5-nitro-;
CAS:3537-14-2
Molecular Formula: C5H6N4O2
Molecular Weight: 154.13
InChI: InChI=1/C5H6N4O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,6H2,(H2,7,8)
Molecular Structure: (C5H6N4O2) 2,3-Pyridinediamine, 5-nitro-;
Properties
Flash Point: 241.7°C
Boiling Point: 476.1°C at 760 mmHg
Density:1.555g/cm3
Refractive index:1.725
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

Flash Point: 241.7°C
Safety Data
 

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