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- ChemComp-KNN: 1-(2-methylphenyl)methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: KNN
NameName: 1-(2-methylphenyl)methanamine

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Chemical information

Composition
Formula: C8H11N / Number of atoms: 20 / Formula weight: 121.18 / Formal charge: 0
OthersType: non-polymer / PDB classification: HETAIN / Three letter code: KNN / Ideal coordinates details: Corina
History
Create componentNov 11, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / 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 12.01NCc1ccccc1C
CACTVS 3.370Cc1ccccc1CN
OpenEye OEToolkits 1.7.0Cc1ccccc1CN

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SMILES CANONICAL

CACTVS 3.370Cc1ccccc1CN
OpenEye OEToolkits 1.7.0Cc1ccccc1CN

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InChI

InChI 1.03InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3

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InChIKey

InChI 1.03CJAAPVQEZPAQNI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(2-methylphenyl)methanamine
OpenEye OEToolkits 1.7.0(2-methylphenyl)methanamine

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PDB entries

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