N~1~-[2-(Dimethylamino)ethyl]-N~1~-methyl-2-nitrobenzene-1,3-diamine

HCID 69226502

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Basic information

CAS: 878025-72-0
Standard SMILES: CN(C)CCN(C)c1cccc(N)c1[N+](=O)[O-]
InChIKey: MYFMWXSMWFWULP-UHFFFAOYSA-N
Molecular formula: C11H18N4O2
Average molar mass: 238.29 g/mol
Monoisotopic mass: 238.14297583

Names & identifiers

Preferred name: N~1~-[2-(Dimethylamino)ethyl]-N~1~-methyl-2-nitrobenzene-1,3-diamine
IUPAC: 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-nitrobenzene-1,3-diamine

Names & synonyms

878025-72-0SCHEMBL4878630DTXSID70740047MYFMWXSMWFWULP-UHFFFAOYSA-NAKOS019414771N~1~-[2-(Dimethylamino)ethyl]-N~1~-methyl-2-nitrobenzene-1,3-diamineDA-40940N-[2-(dimethylamino)ethyl]-N-methyl-2-nitro-1,3-benzenediamine

Database identifiers

CAS: 878025-72-0
PubChem CID: 69226502
DTXSID: DTXSID70740047

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 78.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 254

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