4MN

4-METHYLANILINE

Created:	2013-05-23
Last modified:	2014-09-05

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3 entries where 4MN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of 4MN

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Chemical Component Summary
Name	4-METHYLANILINE
Systematic Name (OpenEye OEToolkits)	4-methylaniline
Formula	C₇ H₉ N
Molecular Weight	107.153
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1ccc(cc1)C
SMILES	CACTVS	3.385	Cc1ccc(N)cc1
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1)N
Canonical SMILES	CACTVS	3.385	Cc1ccc(N)cc1
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1)N
InChI	InChI	1.03	InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
InChIKey	InChI	1.03	RZXMPPFPUUCRFN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL58521
PubChem	7813
ChEMBL	CHEMBL58521
ChEBI	CHEBI:37825
CCDC/CSD	GOVRAK, GAZSUX, HUNCUO, HUNCUO01, CUBKER, BOLBIO

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.