Dibenzylamine, N-(2-chloroethyl)-, N-oxide

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Basic information

CAS: 109475-78-7
Standard SMILES: [O-][N+](CCCl)(Cc1ccccc1)Cc1ccccc1
InChIKey: OPOHQFMDKSJDMD-UHFFFAOYSA-N
Molecular formula: C16H18ClNO
Average molar mass: 275.77 g/mol
Monoisotopic mass: 275.1076919

Names & identifiers

Preferred name: Dibenzylamine, N-(2-chloroethyl)-, N-oxide
IUPAC: N,N-dibenzyl-2-chloroethanamine oxide

Names & synonyms

BRN 3319620DIBENZYLAMINE, N-(2-CHLOROETHYL)-, N-OXIDEN-(2-Chloroethyl)dibenzylamine N-oxide109475-78-7DTXSID901489454-12-00-02181 (Beilstein Handbook Reference)RefChem:337296DTXCID3071436N,N-Dibenzyl-2-chloroethan-1-amine N-oxide

Database identifiers

CAS: 109475-78-7
PubChem CID: 60333
DTXSID: DTXSID90148945

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 18.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 227

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Compound notes

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