BVK

2-[4-(aminomethyl)phenyl]ethanoic acid

Created: 2017-10-16
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of BVK

Chemical Component Summary

Name2-[4-(aminomethyl)phenyl]ethanoic acid
Systematic Name (OpenEye OEToolkits)2-[4-(aminomethyl)phenyl]ethanoic acid
FormulaC9 H11 N O2
Molecular Weight165.189
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385NCc1ccc(CC(O)=O)cc1
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1CC(=O)O)CN
Canonical SMILESCACTVS3.385 NCc1ccc(CC(O)=O)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(ccc1CC(=O)O)CN
InChIInChI1.03 InChI=1S/C9H11NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChIKeyInChI1.03 HAAUVXXFRQXTTQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 40479069, 1514144