AG005U9R

7231-31-4 | 3-Propyl-1H-pyrazole

AG005U9R

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CAS Number	7231-31-4
Catalog Number	AG005U9R(AGN-PC-0OH3IJ)
Chemical Name	3-Propyl-1H-pyrazole
IUPAC Name	5-propyl-1H-pyrazole
InChI	InChI=1S/C6H10N2/c1-2-3-6-4-5-7-8-6/h4-5H,2-3H2,1H3,(H,7,8)
InChI Key	QBNRQCHCKIIYGV-UHFFFAOYSA-N
MDL Number	MFCD01693435
Molecular Formula	C6H10N2
Molecular Weight	110.1570
SMILES	CCCC1=NNC=C1
Synonyms	3-propyl-1H-pyrazole, 7231-31-4, Pyrazole, 3-propyl-, 3-Propylpyrazole, BRN 0001723, 3-n-propylpyrazole, 5-propyl-1H-pyrazole, AC1L47MD, 4-23-00-00633 (Beilstein Handbook Reference), SCHEMBL344424, CTK5D5887, DTXSID30222657, ZINC3636498, AKOS003673890, NE53196, AJ-45180, LS-128556, TC-072142, FT-0688799, A25510, I14-12899, propylpyrazole, C6-H10-N2, CID201990,

Complexity	63.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	110.084g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	110.16g/mol
Monoisotopic Mass	110.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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