34A

3,4-DIMETHYLANILINE

Created:	2002-03-19
Last modified:	2011-06-04

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1 entries where 34A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

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Chemical Component Summary
Name	3,4-DIMETHYLANILINE
Systematic Name (OpenEye OEToolkits)	3,4-dimethylaniline
Formula	C₈ H₁₁ N
Molecular Weight	121.18
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Nc1cc(c(cc1)C)C
SMILES	CACTVS	3.341	Cc1ccc(N)cc1C
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1C)N
Canonical SMILES	CACTVS	3.341	Cc1ccc(N)cc1C
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1C)N
InChI	InChI	1.03	InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
InChIKey	InChI	1.03	DOLQYFPDPKPQSS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03018
Name	3,4-dimethylaniline
Groups	experimental
Synonyms	4-amino-o-xylene 3,4-dimethylbenzeneamine 3,4-dimethylaminobenzene 3,4-dimethylphenylamine 1-amino-3,4-dimethylbenzene 3,4-dimethylbenzenamine 4-amino-1,2-dimethylbenzene 3,4-xylidine 3,4-dimethylbenzene-1-amine 3,4-dimethylaniline 3,4-xylylamine
Categories	Amines
CAS number	95-64-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	MQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMP...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682