AG001PIP

15754-60-6 | 1H-Pyrazole, 1-(1,1-dimethylethyl)-

AG001PIP

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CAS Number	15754-60-6
Catalog Number	AG001PIP(AGN-PC-00MP0Y)
Chemical Name	1H-Pyrazole, 1-(1,1-dimethylethyl)-
IUPAC Name	1-tert-butylpyrazole
InChI	InChI=1S/C7H12N2/c1-7(2,3)9-6-4-5-8-9/h4-6H,1-3H3
InChI Key	QUSOBKIKODRYSH-UHFFFAOYSA-N
MDL Number	MFCD12192641
Molecular Formula	C7H12N2
Molecular Weight	124.1836
SMILES	CC(N1N=CC=C1)(C)C
Synonyms	1-TERT-BUTYL-1H-PYRAZOLE, 15754-60-6, 1-(tert-Butyl)-1H-pyrazole, 1-Tert-Butylpyrazole, (tert-butyl)pyrazole, 1-t-butylpyrazole, N-tert-butylpyrazole, 1-tert-butyl-pyrazole, 1-(tert-butyl)pyrazole, 1-t-butyl-1H-pyrazole, ACMC-209dg7, SCHEMBL179276, CTK4C9393, DTXSID10541636, QUSOBKIKODRYSH-UHFFFAOYSA-N, ACN-P000727, ANW-21701, MFCD12192641, SBB026918, ZINC35728290, 1-(1,1-Dimethylethyl)-1H-pyrazole, AKOS005169031, ACN-000727, CS-W000497, MCULE-8725789012, SB12179, 1H-Pyrazole, 1-(1,1-dimethylethyl)-, AJ-92083, AS-36196, DA-16820, AB0022537, ST2403290, TR-035818, FT-0766792, ST45136198, W3420, EN300-82235, B-2418, I14-13508, Z1250132779, C7H12N2,

Complexity	93.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.1g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.187g/mol
Monoisotopic Mass	124.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

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