H83

~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine

Created:2016-12-12
Last modified:  2017-05-24

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count42
Aromatic Bond Count12
2D diagram of H83

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Chemical Component Summary

Name~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine
Systematic Name (OpenEye OEToolkits)~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine
FormulaC17 H21 Cl N2
Molecular Weight288.815
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385NCCCCNCc1ccc(c(Cl)c1)c2ccccc2
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN
Canonical SMILESCACTVS3.385 NCCCCNCc1ccc(c(Cl)c1)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN
InChIInChI1.03 InChI=1S/C17H21ClN2/c18-17-12-14(13-20-11-5-4-10-19)8-9-16(17)15-6-2-1-3-7-15/h1-3,6-9,12,20H,4-5,10-11,13,19H2
InChIKeyInChI1.03 HJEYOGWGGOUBGH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 126970795
ChEMBL CHEMBL4116056