AG003IIK

5580-33-6 | 3,4-Dimethylbenzamide

AG003IIK

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CAS Number	5580-33-6
Catalog Number	AG003IIK(AGN-PC-0JKG2W)
Chemical Name	3,4-Dimethylbenzamide
IUPAC Name	3,4-dimethylbenzamide
InChI	InChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)
InChI Key	INGCXEIJXKQPJH-UHFFFAOYSA-N
MDL Number	MFCD00052960
Molecular Formula	C9H11NO
Molecular Weight	149.1897
SMILES	O=C(N)C1=CC=C(C)C(C)=C1
UNII	1RMM93929W
Synonyms	3,4-DIMETHYLBENZAMIDE, 5580-33-6, UNII-1RMM93929W, 1RMM93929W, MFCD00052960, Benzamide, 3,4-dimethyl-, ACMC-20anek, 3.4-Dimethylbenzamid, Benzamide,3,4-dimethyl-, AC1L2J0J, SCHEMBL1002832, CTK5A4208, DTXSID50274714, INGCXEIJXKQPJH-UHFFFAOYSA-N, ZINC4284692, 5611AE, SBB086653, AKOS008937490, VZ25607, TS-01960, DB-021937, TR-008480, FT-0614368, ST50824159, A830813, I14-107146, N-Methyl-p-toluamide, C9H11NO, CID21755, ZINC04284692, Benzamide, 3,4-dimethyl- (6CI,7CI,8CI,9CI), 18370-11-1,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	149.193g/mol
Monoisotopic Mass	149.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H335-H319-H315
Packing Group
Precautionary statements	P305+P351+P338-P405-P261-P304+P340-P280
UN Code

Certificate of Analysis

Lot Number