[1-(2-Chloro-4-nitrophenyl)pyrrolidin-3-yl]dimethylamine

HCID 53440459

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Basic information

CAS: 947149-13-5
Standard SMILES: CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1
InChIKey: FDDMQLQRCXSZDR-UHFFFAOYSA-N
Molecular formula: C12H16ClN3O2
Average molar mass: 269.73 g/mol
Monoisotopic mass: 269.09310443

Names & identifiers

Preferred name: [1-(2-Chloro-4-nitrophenyl)pyrrolidin-3-yl]dimethylamine
IUPAC: 1-(2-chloro-4-nitrophenyl)-N,N-dimethylpyrrolidin-3-amine
English name: 1-(2-CHLORO-4-NITROPHENYL)-N,N-DIMETHYLPYRROLIDIN-3-AMINE
Molecular formula: C12H16ClN3O2
Molecular weight: 0

Names & synonyms

[1-(2-Chloro-4-nitrophenyl)pyrrolidin-3-yl]dimethylamine947149-13-5SCHEMBL4287463DTXSID00702592FDDMQLQRCXSZDR-UHFFFAOYSA-N[1-(2-chloro-4-nitrophenyl)-pyrrolidin-3-yl]dimethylamine1-(2-CHLORO-4-NITROPHENYL)-N,N-DIMETHYLPYRROLIDIN-3-AMINE

Database identifiers

CAS: 947149-13-5
PubChem CID: 53440459
DTXSID: DTXSID00702592

Properties

Computed structural properties

XLogP: 2.7
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: 308

Related reactions

2 records

New reaction record

HRID 69406As reactantuspto-grants-2014_09

HRID 69407As productuspto-grants-2014_09

Compound notes

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