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- ChemComp-4ZY: 4-(aminomethyl)aniline -

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Basic information

EntryDatabase: PDB chemical components / ID: 4ZY
NameName: 4-(aminomethyl)aniline

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Chemical information

Composition
Formula: C7H10N2 / Number of atoms: 19 / Formula weight: 122.168 / Formal charge: 0
Others

4bno
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: 4ZY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BNO
History
Create componentMay 15, 2013
Initial releaseMay 28, 2014
Modify descriptorSep 5, 2014
External linksUniChem / ChemSpider / BindingDB / 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 12.01NCc1ccc(N)cc1
CACTVS 3.385NCc1ccc(N)cc1
OpenEye OEToolkits 1.9.2c1cc(ccc1CN)N

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SMILES CANONICAL

CACTVS 3.385NCc1ccc(N)cc1
OpenEye OEToolkits 1.9.2c1cc(ccc1CN)N

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InChI

InChI 1.03InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2

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InChIKey

InChI 1.03BFWYZZPDZZGSLJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-(aminomethyl)aniline
OpenEye OEToolkits 1.9.24-(aminomethyl)aniline

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PDB entries

Showing all 1 items

PDB-4uoe:
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline

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