NNW

1-(pyridin-4-yl)methanamine

Created:2011-07-26
Last modified:  2011-07-26

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count16
Aromatic Bond Count6
2D diagram of NNW

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Chemical Component Summary

Name1-(pyridin-4-yl)methanamine
Systematic Name (OpenEye OEToolkits)pyridin-4-ylmethanamine
FormulaC6 H8 N2
Molecular Weight108.141
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1ccc(cc1)CN
SMILESCACTVS3.370NCc1ccncc1
SMILESOpenEye OEToolkits1.7.2c1cnccc1CN
Canonical SMILESCACTVS3.370 NCc1ccncc1
Canonical SMILESOpenEye OEToolkits1.7.2 c1cnccc1CN
InChIInChI1.03 InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
InChIKeyInChI1.03 TXQWFIVRZNOPCK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 77317
ChEMBL CHEMBL1188378
CCDC/CSD OFEXII, TOHYEV, TOHYIZ, IGAHUU, WUTGIC, OFEWUT, QANWOS, HOLJEA, QUJBAB, OFEXUU, BUBWUR, MUDMUU, CUFMIC, HOLJIE, HOLJAW01, JIQMUS, HOLJAW, WEBXAE, QUJCAC, WILMOW, JIQMUS01, HEBJOR, TENDUP, VAZRUN
COD 2206089