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Basic Information
CAS No.: 31793-29-0
Name: 4-AMINO-3,5-DINITROPYRIDINE
Article Data: 5
Molecular Structure:
Molecular Structure of 31793-29-0 (4-AMINO-3,5-DINITROPYRIDINE)
Formula: C5H4 N4 O4
Molecular Weight: 184.111
Synonyms: Pyridine,4-amino-3,5-dinitro- (6CI,8CI); 4-Amino-3,5-dinitropyridine; NSC 114826
Density: 1.694
Melting Point: 168-169oC
Boiling Point: 402.3°Cat760mmHg
Flash Point: 197.1°C
Risk Codes: 23/24/25-33
Safety: 28-37-45
PSA: 130.55000
LogP: 2.10780
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Chemistry

Molecule structure of 4-Amino-3,5-dinitropyridine (CAS NO.31793-29-0):

IUPAC Name: 3,5-Dinitropyridin-4-amine 
Molecular Weight: 184.10966 [g/mol]
Molecular Formula: C5H4N4O4
Index of Refraction: 1.693
Molar Refractivity: 41.67 cm3
Molar Volume: 108.6 cm3
Surface Tension: 94 dyne/cm
Density: 1.694 g/cm3 
Melting Point: 168-169 °C 
Flash Point: 197.1 °C
Enthalpy of Vaporization: 65.35 kJ/mol
Boiling Point: 402.3 °C at 760 mmHg
Vapour Pressure: 1.1E-06 mmHg at 25 °C 
XLogP3-AA: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 6
Tautomer Count: 2
Exact Mass: 184.023255
MonoIsotopic Mass: 184.023255
Topological Polar Surface Area: 125
Heavy Atom Count: 13
Complexity: 200
Canonical SMILES: C1=C(C(=C(C=N1)[N+](=O)[O-])N)[N+](=O)[O-]
InChI: InChI=1S/C5H4N4O4/c6-5-3(8(10)11)1-7-2-4(5)9(12)13/h1-2H,(H2,6,7)
InChIKey of 4-Amino-3,5-dinitropyridine (CAS NO.31793-29-0): IEUQRKITTGSLJL-UHFFFAOYSA-N

Specification

 4-Amino-3,5-dinitropyridine (CAS NO.31793-29-0) is also named as 4-Pyridinamine, 3,5-dinitro- ; 3,5-Dinitropyridin-4-amine ; Pyridine,4-amino-3,5-dinitro- (6CI,8CI) ; NSC 114826 ; 4-Pyridinamine,3,5-dinitro- .