AG003DOV

1072-68-0 | 1,4-Dimethylpyrazole

AG003DOV

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CAS Number	1072-68-0
Catalog Number	AG003DOV(AGN-PC-0JMP47)
Chemical Name	1,4-Dimethylpyrazole
EC Number	600-813-6
IUPAC Name	1,4-dimethylpyrazole
InChI	InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3
InChI Key	SZQCPPRPWDXLMM-UHFFFAOYSA-N
MDL Number	MFCD01075158
Molecular Formula	C5H8N2
Molecular Weight	96.1304
SMILES	C1=N[N](C=C1C)C
Synonyms	1,4-Dimethylpyrazole, 1072-68-0, 1,4-Dimethyl-1H-pyrazole, 1,4-Dimethyl pyrazole, Pyrazole, 1,4-dimethyl-, 1H-Pyrazole, 1,4-dimethyl-, SZQCPPRPWDXLMM-UHFFFAOYSA-N, PubChem20859, AC1L39DS, KSC493I1F, 1,4-Dimethyl-1H-pyrazole #, CTK3J3412, DTXSID80147947, ACN-S003335, ZINC2572537, (1-methyl-1H-pyrazol-4-yl)methane, ANW-52270, MFCD01075158, SBB073292, AKOS005169178, AC-4838, CS-W021288, MCULE-7303683364, RTR-001417, TRA0009720, AJ-42035, AK-47523, AN-11590, BR-47523, CJ-09960, SY014459, AB0034646, DB-059588, ST2408484, TR-001417, FT-0656851, ST51055405, X8833, A-3466, MFCD01075158 (97+%), 072D680, I14-6392, C5H8N2, CID136836, ACN-001938, A2063,

Complexity	63.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	96.069g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	96.133g/mol
Monoisotopic Mass	96.069g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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

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