1-Naphthylamine, 1,2,3,4-tetrahydro-N,N-dimethyl-6,8-dinitro-5-methoxy-, hydrochloride

HCID 46452

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Basic information

CAS: 64037-82-7
Standard SMILES: COc1c([N+](=O)[O-])cc([N+](=O)[O-])c2c1CCCC2[NH+](C)C.[Cl-]
InChIKey: HNFGCJDTDFCKFO-UHFFFAOYSA-N
Molecular formula: C13H18ClN3O5
Average molar mass: 331.75 g/mol
Monoisotopic mass: 331.0934984

Names & identifiers

Preferred name: 1-Naphthylamine, 1,2,3,4-tetrahydro-N,N-dimethyl-6,8-dinitro-5-methoxy-, hydrochloride
IUPAC: (5-methoxy-6,8-dinitro-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium chloride

Names & synonyms

1-Naphthylamine, 1,2,3,4-tetrahydro-N,N-dimethyl-6,8-dinitro-5-methoxy-, hydrochloride64037-82-7RefChem:10560821-Naphthylamine, N,N-dimethyl-6,8-dinitro-5-methoxy-1,2,3,4-tetrahydro-, hydrochloride

Database identifiers

CAS: 64037-82-7
PubChem CID: 46452

Properties

Computed structural properties

Topological polar surface area: 105 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 406

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