N-(2-diethylaminoethyl)-3-nitro-benzamide

HCID 487519

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Basic information

CAS: 717088-34-1
Standard SMILES: CCN(CC)CCNC(=O)c1cccc([N+](=O)[O-])c1
InChIKey: XSFDLXRAGIXXTB-UHFFFAOYSA-N
Molecular formula: C13H19N3O3
Average molar mass: 265.31 g/mol
Monoisotopic mass: 265.14264148

Names & identifiers

Preferred name: N-(2-diethylaminoethyl)-3-nitro-benzamide
IUPAC: N-[2-(diethylamino)ethyl]-3-nitrobenzamide

Names & synonyms

E5Z8A4QHR2AKOS003542666N-(2-diethylaminoethyl)-3-nitro-benzamideN-(2-(diethylamino)ethyl)-3-nitrobenzamideBenzamide, N-[2-(diethylamino)ethyl]-3-nitroN-[2-(Diethylamino)ethyl](3-nitrophenyl)carboxamide717088-34-1

Database identifiers

CAS: 717088-34-1
PubChem CID: 487519
UNII: E5Z8A4QHR2

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 78.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 300

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