AG0002SP

1007538-66-0 | 1H-Pyrazole-4-methanamine, 3-methyl-

AG0002SP

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CAS Number	1007538-66-0
Catalog Number	AG0002SP(AGN-PC-0WCZTR)
Chemical Name	1H-Pyrazole-4-methanamine, 3-methyl-
IUPAC Name	(5-methyl-1H-pyrazol-4-yl)methanamine
InChI	InChI=1S/C5H9N3/c1-4-5(2-6)3-7-8-4/h3H,2,6H2,1H3,(H,7,8)
InChI Key	YPBTTWVBPFEPBE-UHFFFAOYSA-N
MDL Number	MFCD05664573
Molecular Formula	C5H9N3
Molecular Weight	111.1451
SMILES	CC1C(CN)=CNN=1
Synonyms	(5-methyl-1H-pyrazol-4-yl)methanamine, 1007538-66-0, (3-methyl-1H-pyrazol-4-yl)methanamine, 1048924-93-1, 1H-Pyrazole-4-methanamine, 3-methyl-, (3-methyl-1H-pyrazol-4-yl)methylamine, (3-methylpyrazol-4-yl)methylamine, 1-(5-methyl-1H-pyrazol-4-yl)methanamine, ZERO/005575, AC1Q2Q5H, AC1LR514, SCHEMBL4054528, SCHEMBL18756770, CTK6C3927, CTK8C4409, DTXSID20362874, ALBB-016330, ZINC5625813, 1085AA, ANW-71808, BBL008531, MFCD08685643, SBB013491, STK256635, AKOS000264826, AKOS003673204, AKOS025394096, MCULE-6409973282, NE33641, AJ-54431, AK-68023, BS-12845, ST4108464, TC-160553, EN300-31283, 1-(5-methyl-1H-pyrazol-4-yl)methanamine dihydrobromide, F2198-2659, F2198-3788, C5H9N3, 3-methyl-1H-Pyrazole-4-methanamine, CID1417882,

Complexity	74.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.08g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	111.148g/mol
Monoisotopic Mass	111.08g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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