CAS 42606-33-7 3-Nitroquinolin-4-amine (HCID 280005)

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Basic information

CAS: 42606-33-7
Standard SMILES: Nc1c([N+](=O)[O-])cnc2ccccc12
InChIKey: SKPRPEJLFKCOAB-UHFFFAOYSA-N
Molecular formula: C9H7N3O2
Average molar mass: 189.17 g/mol
Monoisotopic mass: 189.05382648

Names & identifiers

Preferred name: 3-Nitroquinolin-4-amine
IUPAC: 3-nitroquinolin-4-amine
English name: 4-Amino-3-nitroquinoline
Molecular formula: C9H7N3O2
Molecular weight: 189.17

Names & synonyms

3-nitroquinolin-4-amine4-Amino-3-nitroquinoline42606-33-73-nitro-4-aminoquinolineMFCD006669093-Nitro-4-aminoquinoline; 4-Amino-3-nitroquinoline;NSC 131346NSC131346SCHEMBL202880SCHEMBL5766854DTXSID60299559SKPRPEJLFKCOAB-UHFFFAOYSA-NCS-M2024

Show more names

NSC 1313463-nitro-4-quinolinamine4-QuinolinaMine, 3-nitro-4-Amino-3-nitroquinoline ,97%4-AMINO-3-NITROQUINOLINE ISO 9001：2015 REACH

AKOS004903198AB06714NSC-131346AS-58349C12514F210064Q274531223-Nitro-4-aminoquinoline; 4-Amino-3-nitroquinoline; NSC 131346

Database identifiers

CAS: 42606-33-7
PubChem CID: 280005
DTXSID: DTXSID60299559
Nikkaji: J89.481H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 229

Physicochemical properties

Melting point: 261 · 261-262℃
Boiling point: 405.3 · 405.3±30.0 °C(Predicted)
Density: 1.445 · 1.445
pka: 5.15 · 5.15±0.50(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety Statements: 24 · 24/25
HS Code: 29334900 · 29334900