AG0076LU

39021-62-0 | 1-Methyl-1H-imidazole-5-carbaldehyde

AG0076LU

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CAS Number	39021-62-0
Catalog Number	AG0076LU(AGN-PC-0CPQ1N)
Chemical Name	1-Methyl-1H-imidazole-5-carbaldehyde
IUPAC Name	3-methylimidazole-4-carbaldehyde
InChI	InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3
InChI Key	BNYKZFOZWZMEJD-UHFFFAOYSA-N
MDL Number	MFCD00030439
Molecular Formula	C5H6N2O
Molecular Weight	110.1139
SMILES	O=CC1=CN=CN1C
Synonyms	1-Methyl-1H-imidazole-5-carbaldehyde, 39021-62-0, 1-Methyl-1H-imidazole-5-carboxaldehyde, 3-Methyl-3H-imidazole-4-carbaldehyde, 3-methylimidazole-4-carbaldehyde, 1-Methylimidazole-5-carboxaldehyde, BNYKZFOZWZMEJD-UHFFFAOYSA-N, 1H-IMIDAZOLE-5-CARBOXALDEHYDE, 1-METHYL-, MFCD00030439, 1-methylimidazole-5-carbaldehyde, PubChem8047, AC1LCBJT, 5-formyl-1-methylimidazole, AC1Q6QA3, SCHEMBL52612, 1-Methyl-5-formyl imidazole, ACMC-209j35, CHEMBL190795, CTK4I0834, 1-methyl-imidazol-5-carbaldehyde, 5-Formyl-1-methyl-1H-imidazole, DTXSID30341519, 1-methyl-imidazole-5-carbaldehyde, 1-Methyl-5-imidazolecarboxaldehyde, N-methyl 5-imidazolecarboxaldehyde, ZINC158990, KS-000010CM, STR09069, methyl-1H-imidazol-5-carboxaldehyde, ANW-29007, SBB010122, AKOS000506103, ACN-000850, CM-1856, CS-W011279, MCULE-4444133297, PB21631, PS-3340, RP00502, VI10048, TRA-0191210, 1-Methyl-1H-imidazole-5-carbaldehyde #, 1-METHYLIMIDAZOLE-5-CARBOXALDEYDE, 1-Methyl-5-imidazolecarboxaldehyde, 97%, 1H-Imidazole-5-carboxaldehyde,1-methyl-, AC-24712, AJ-15434, AM803828, BR-34974, CJ-01861, SC-04090, ZB007167, AB0001829, DB-012095, M2156M500, ST2415397, TC-060161, 4CH-012743, BB 0261384, FT-0639512, ST50341704, W5944, A-2050, 021M620, I04-0569, Q-103108, F8881-2754, C5H6N2O, AR-1C4346, CID573592, ZINC00158990, 39384-04-8,

Complexity	94.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	110.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	110.116g/mol
Monoisotopic Mass	110.048g/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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number