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- ChemComp-7BZ: N,N-dimethylboranamine -

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Basic information

EntryDatabase: PDB chemical components / ID: 7BZ
NameName: N,N-dimethylboranamine

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Chemical information

Composition
Formula: C2H8BN / Number of atoms: 12 / Formula weight: 56.903 / Formal charge: 0
Others

5thm

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7BZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5THM
History
Create componentSep 30, 2016
Initial releaseMar 8, 2017
External linksUniChem / ChemSpider / NMRShiftDB / Nikkaji / PubChem / 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 12.01BN(C)C
CACTVS 3.385BN(C)C
OpenEye OEToolkits 2.0.6BN(C)C

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SMILES CANONICAL

CACTVS 3.385BN(C)C
OpenEye OEToolkits 2.0.6BN(C)C

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InChI

InChI 1.03InChI=1S/C2H8BN/c1-4(2)3/h3H2,1-2H3

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InChIKey

InChI 1.03SDWBRBLWPQDUQP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,N-dimethylboranamine
OpenEye OEToolkits 2.0.6~{N}-boranyl-~{N}-methyl-methanamine

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PDB entries

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PDB-5thm:
Esterase-6 from Drosophila melanogaster

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