Dimethyl-(4-nitro-3-piperidin-1-yl-phenyl)-amine

HCID 69312829

Notes Reactions

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Basic information

CAS: 854044-36-3
Standard SMILES: CN(C)c1ccc([N+](=O)[O-])c(N2CCCCC2)c1
InChIKey: NROACELWDSHLKL-UHFFFAOYSA-N
Molecular formula: C13H19N3O2
Average molar mass: 249.31 g/mol
Monoisotopic mass: 249.14772685

Names & identifiers

Preferred name: Dimethyl-(4-nitro-3-piperidin-1-yl-phenyl)-amine
IUPAC: N,N-dimethyl-4-nitro-3-piperidin-1-ylaniline

Names & synonyms

SCHEMBL5104601NROACELWDSHLKL-UHFFFAOYSA-NDTXSID801233482Dimethyl-(4-nitro-3-piperidin-1-yl-phenyl)-amineN,N-Dimethyl-4-nitro-3-(piperidin-1-yl)anilineN,N-Dimethyl-4-nitro-3-(1-piperidinyl)benzenamine854044-36-3

Database identifiers

CAS: 854044-36-3
PubChem CID: 69312829
DTXSID: DTXSID801233482

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 284

Related reactions

3 records

New reaction record

HRID 32894As productuspto-grants-2008_09

HRID 32895As reactantuspto-grants-2008_09

HRID 1153483As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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