Acridine, 9-(m-nitroanilino)-

HCID 53312

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Basic information

CAS: 75775-63-2
Standard SMILES: O=[N+]([O-])c1cccc(Nc2c3ccccc3nc3ccccc23)c1
InChIKey: LOMJUIDZCZPNCP-UHFFFAOYSA-N
Molecular formula: C19H13N3O2
Average molar mass: 315.3 g/mol
Monoisotopic mass: 315.10077667

Names & identifiers

Preferred name: Acridine, 9-(m-nitroanilino)-
IUPAC: N-(3-nitrophenyl)acridin-9-amine

Names & synonyms

75775-63-2ACRIDINE, 9-(m-NITROANILINO)-9-(m-Nitroanilino)acridineBRN 0297495DTXSID402266614-21-00-04178 (Beilstein Handbook Reference)RefChem:317123DTXCID70149152N-(3-nitrophenyl)acridin-9-amineN-(3-Nitrophenyl)-9-acridinamineMLS000712316CHEMBL50175

Show more names

SCHEMBL1862842acridin-9-yl(3-nitrophenyl)amineHMS2691D03STK727006AKOS000521728NCGC00245205-01SMR000282083ST4053082

Database identifiers

CAS: 75775-63-2
PubChem CID: 53312
DTXSID: DTXSID40226661
ChEMBL: CHEMBL50175
EC Number: 122-350-4
Nikkaji: J66.928H

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 70.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 430

Experimental & physicochemical properties

Solubility2.8 [ug/mL] (The mean of the results at pH 7.4)

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