S4V

~{N}2-pyridin-2-ylbenzene-1,2-diamine

Created:2020-03-04
Last modified:  2020-04-22

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count26
Aromatic Bond Count12
2D diagram of S4V

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Chemical Component Summary

Name~{N}2-pyridin-2-ylbenzene-1,2-diamine
Systematic Name (OpenEye OEToolkits)~{N}2-pyridin-2-ylbenzene-1,2-diamine
FormulaC11 H11 N3
Molecular Weight185.225
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Nc1ccccc1Nc2ccccn2
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)N)Nc2ccccn2
Canonical SMILESCACTVS3.385 Nc1ccccc1Nc2ccccn2
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(c(c1)N)Nc2ccccn2
InChIInChI1.03 InChI=1S/C11H11N3/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2,(H,13,14)
InChIKeyInChI1.03 SMNUYINHUNGHMQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 752150