Benzamide, N-(6-(9-acridinylamino)hexyl)-4-nitro-, monohydrochloride

HCID 150581

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Basic information

CAS: 112767-03-0
Standard SMILES: Cl.O=C(NCCCCCCNc1c2ccccc2nc2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIKey: WVYFLOYVWDOJRI-UHFFFAOYSA-N
Molecular formula: C26H27ClN4O3
Average molar mass: 479 g/mol
Monoisotopic mass: 478.1771684

Names & identifiers

Preferred name: Benzamide, N-(6-(9-acridinylamino)hexyl)-4-nitro-, monohydrochloride
IUPAC: N-[6-(acridin-9-ylamino)hexyl]-4-nitrobenzamide;hydrochloride

Names & synonyms

Benzamide, N-(6-(9-acridinylamino)hexyl)-4-nitro-, monohydrochloride112767-03-0N-(6-(0-Acridinylamino)hexyl)-4-nitrobenzamide monohydrochlorideDTXSID20150172N-(6-(9-Acridinylamino)hexyl)-4-nitrobenzamide monohydrochlorideN-{6-[(Acridin-9-yl)amino]hexyl}-4-nitrobenzamide--hydrogen chloride (1/1)

Database identifiers

CAS: 112767-03-0
PubChem CID: 150581
DTXSID: DTXSID20150172

Properties

Computed structural properties

Topological polar surface area: 99.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 34
Formal charge: 0
Complexity: 610

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