2C9

3-methylbenzene-1,2-diamine

Created:	2013-09-20
Last modified:	2014-04-16

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1 entries where 2C9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of 2C9

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Chemical Component Summary
Name	3-methylbenzene-1,2-diamine
Systematic Name (OpenEye OEToolkits)	3-methylbenzene-1,2-diamine
Formula	C₇ H₁₀ N₂
Molecular Weight	122.168
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1c(cccc1N)C
SMILES	CACTVS	3.385	Cc1cccc(N)c1N
SMILES	OpenEye OEToolkits	1.7.6	Cc1cccc(c1N)N
Canonical SMILES	CACTVS	3.385	Cc1cccc(N)c1N
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cccc(c1N)N
InChI	InChI	1.03	InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
InChIKey	InChI	1.03	AXNUJYHFQHQZBE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	17593
ChEMBL	CHEMBL3183504
CCDC/CSD	EDUXOS, DIFZOK
COD	2236814

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.