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- ChemComp-DET: UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: DET
NameName: undecylamine-N,N-dimethyl-N-oxide

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Chemical information

Composition
Formula: C13H29NO / Number of atoms: 44 / Formula weight: 215.375 / Formal charge: 0
Others

1lgh

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DET / Model coordinates PDB-ID: 1LGH
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / CompTox / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04[O-][N+](CCCCCCCCCCC)(C)C
CACTVS 3.341CCCCCCCCCCC[N+](C)(C)[O-]
OpenEye OEToolkits 1.5.0CCCCCCCCCCC[N+](C)(C)[O-]

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCC[N+](C)(C)[O-]
OpenEye OEToolkits 1.5.0CCCCCCCCCCC[N+](C)(C)[O-]

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InChI

InChI 1.03InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3

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InChIKey

InChI 1.03OZHBUVQCJMARBN-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04dimethyl(undecyl)amine oxide
OpenEye OEToolkits 1.5.0N,N-dimethylundecan-1-amine oxide

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