AG0002TI

1007542-22-4 | 1H-Pyrazole-4-methanol, 1-(1-methylethyl)-

AG0002TI

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CAS Number	1007542-22-4
Catalog Number	AG0002TI(AGN-PC-0WB3LW)
Chemical Name	1H-Pyrazole-4-methanol, 1-(1-methylethyl)-
IUPAC Name	(1-propan-2-ylpyrazol-4-yl)methanol
InChI	InChI=1S/C7H12N2O/c1-6(2)9-4-7(5-10)3-8-9/h3-4,6,10H,5H2,1-2H3
InChI Key	CZKNSLLDUNVBJQ-UHFFFAOYSA-N
MDL Number	MFCD08059963
Molecular Formula	C7H12N2O
Molecular Weight	140.1830
SMILES	OCC1=CN(C(C)C)N=C1
Synonyms	(1-Isopropyl-1H-pyrazol-4-yl)methanol, 1007542-22-4, [1-(propan-2-yl)-1H-pyrazol-4-yl]methanol, 1H-pyrazole-4-methanol, 1-(1-methylethyl)-, SCHEMBL12026627, CTK3J9222, KS-00001ATW, DTXSID10629680, (1-isopropylpyrazol-4-yl)methanol, ALBB-014304, 7261AC, BBL015951, MFCD08059963, STL170064, ZINC19090273, (1-propan-2-ylpyrazol-4-yl)methanol, AKOS003673006, MCULE-9374094253, AJ-71378, DA-18529, SC-43527, AB0157918, CS-0035757, FT-0683853, Y-3516, (1-Isopropyl-1H-pyrazol-4-yl)methanol, AldrichCPR, I14-26779, F8883-1614, C7H12N2O,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.095g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.186g/mol
Monoisotopic Mass	140.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	38A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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