1-Nitro-9-aminoacridine

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Basic information

CAS: 21914-54-5
Standard SMILES: Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChIKey: IOQZSOCPFYNJIG-UHFFFAOYSA-N
Molecular formula: C13H9N3O2
Average molar mass: 239.23 g/mol
Monoisotopic mass: 239.06947654

Names & identifiers

Preferred name: 1-Nitro-9-aminoacridine
IUPAC: 1-nitroacridin-9-amine
English name: 1-Nitro-9-aminoacridine
Molecular weight: 0

Names & synonyms

1-Nitro-9-aminoacridine21914-54-5DTXSID00176330RefChem:76581DTXCID20988211-nitroacridin-9-aminel-nitro-9-aminoacridine9-Acridinamine, 1-nitro-CHEMBL25926SCHEMBL2918933(1-nitro-acridin-9-yl)-amineIOQZSOCPFYNJIG-UHFFFAOYSA-N

Show more names

1-Nitro-9-acridinamine

Database identifiers

CAS: 21914-54-5
PubChem CID: 146709
DTXSID: DTXSID00176330
ChEMBL: CHEMBL25926
Nikkaji: J83.116F

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 331

Related reactions

1 records

New reaction record

HRID 2275511As reactantuspto-grants-2015_09

Compound notes

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