N-[3-(dimethylamino)propyl]-4-nitrobenzamide

HCID 2250596

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Basic information

CAS: 88452-44-2
Standard SMILES: CN(C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: KPFXNPAEVCQFKE-UHFFFAOYSA-N
Molecular formula: C12H17N3O3
Average molar mass: 251.28 g/mol
Monoisotopic mass: 251.12699141

Names & identifiers

Preferred name: N-[3-(dimethylamino)propyl]-4-nitrobenzamide
IUPAC: N-[3-(dimethylamino)propyl]-4-nitrobenzamide

Names & synonyms

N-[3-(dimethylamino)propyl]-4-nitrobenzamide88452-44-2Benzamide, N-[3-(dimethylamino)propyl]-4-nitro-CBMicro_011667N-[3-(dimethylamino)propyl](4-nitrophenyl)carboxamideCambridge id 5562858SCHEMBL4505769DTXSID50367251ALBB-036663SMSF0006185SBB006328STK052924

Show more names

AKOS001648164CB14838ST021084BIM-0011699.P001EU-0009786

Database identifiers

CAS: 88452-44-2
PubChem CID: 2250596
DTXSID: DTXSID50367251

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 78.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 281

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