AG00BYWQ

368833-94-7 | 1,4-dimethyl-1H-imidazole-5-carbaldehyde

AG00BYWQ

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CAS Number	368833-94-7
Catalog Number	AG00BYWQ(AGN-PC-03HWGQ)
Chemical Name	1,4-dimethyl-1H-imidazole-5-carbaldehyde
IUPAC Name	3,5-dimethylimidazole-4-carbaldehyde
InChI	InChI=1S/C6H8N2O/c1-5-6(3-9)8(2)4-7-5/h3-4H,1-2H3
InChI Key	FPIUOFIMKXDZHM-UHFFFAOYSA-N
MDL Number	MFCD06738743
Molecular Formula	C6H8N2O
Molecular Weight	124.1405
SMILES	O=CC1=C(C)N=CN1C
Synonyms	1,4-DIMETHYL-1H-IMIDAZOLE-5-CARBALDEHYDE, 368833-94-7, AK158521, 1,4-DIMETHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE, SCHEMBL6070992, CTK1B6028, FPIUOFIMKXDZHM-UHFFFAOYSA-N, FCH882570, ZINC20443711, AKOS006305821, AB62625, DS-9366, AJ-77689, AX8254408, DB-069458, 3,5-DIMETHYLIMIDAZOLE-4-CARBALDEHYDE, FT-0704989, ST24036854, 1H-Imidazole-5-carboxaldehyde, 1,4-dimethyl-, S14-2604, 1,5-DIMETHYL-1H-IMIDAZOLE-4-CARBALDEHYDE,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.064g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.143g/mol
Monoisotopic Mass	124.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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