AG000N9L

125144-04-9 | 1H-Pyrazole-3-carbonitrile, 5-amino-

AG000N9L

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CAS Number	125144-04-9
Catalog Number	AG000N9L(AGN-PC-0O0Q3Z)
Chemical Name	1H-Pyrazole-3-carbonitrile, 5-amino-
IUPAC Name	3-amino-1H-pyrazole-5-carbonitrile
InChI	InChI=1S/C4H4N4/c5-2-3-1-4(6)8-7-3/h1H,(H3,6,7,8)
InChI Key	CLPXHJRACWYTNN-UHFFFAOYSA-N
MDL Number	MFCD10697811
Molecular Formula	C4H4N4
Molecular Weight	108.1014
SMILES	N#CC1=NNC(N)=C1
Synonyms	5-amino-1H-pyrazole-3-carbonitrile, 125144-04-9, 3-amino-1H-pyrazole-5-carbonitrile, 1H-Pyrazole-3-carbonitrile, 5-amino-, aminopyrazolecarbonitrile, ACMC-20e9on, 5-aminopyrazole carbonitrile, SCHEMBL174542, CTK0C2426, DTXSID50611140, CLPXHJRACWYTNN-UHFFFAOYSA-N, KS-000004CQ, ZX-RL003494, FCH991474, MFCD10697811, ZINC39118285, AKOS006338131, AKOS015991584, AB60556, MCULE-6644581172, NF-0227, RP09606, AJ-98501, AK135359, OR310252, AX8224308, DB-021091, TX-018234, CS-0050697, FT-0717071, J-516657, 1H-Pyrazole-3-carbonitrile, 5-amino- (9CI),

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	108.044g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	108.104g/mol
Monoisotopic Mass	108.044g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	78.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

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