AG003ME0

54711-21-6 | 5-Amino-4-cyano-3-cyanomethylpyrazole

AG003ME0

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CAS Number	54711-21-6
Catalog Number	AG003ME0(AGN-PC-0OC3YD)
Chemical Name	5-Amino-4-cyano-3-cyanomethylpyrazole
EC Number	259-299-3
IUPAC Name	3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile
InChI	InChI=1S/C6H5N5/c7-2-1-5-4(3-8)6(9)11-10-5/h1H2,(H3,9,10,11)
InChI Key	GSXISOIYTHIBLC-UHFFFAOYSA-N
MDL Number	MFCD00022387
Molecular Formula	C6H5N5
Molecular Weight	147.1374
NSC Number	22478
SMILES	NC1=NNC(CC#N)=C1C#N
UNII	BGX2I4IB38
Synonyms	54711-21-6, 5-Amino-4-cyano-3-cyanomethylpyrazole, 5-Amino-4-cyano-3-(cyanomethyl)pyrazole, 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile, 1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-, 3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile, 3-Cyanomethyl-4-cyano-5-aminopyrazole, 5-Amino-4-cyano-1H-pyrazole-3-acetonitrile, 4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-, EINECS 259-299-3, NSC 22478, UNII-BGX2I4IB38, BGX2I4IB38, AI3-61179, GSXISOIYTHIBLC-UHFFFAOYSA-N, 5-amino-3-(cyanomethyl)-1h-pyrazol-4-yl cyanide, 5-Amino-3-cyanomethyl-1H-pyrazole-4-carbonitrile, 3-amino-4-cyano-5-cyanomethylpyrazole, 5-Amino-4-cyanopyrazole-3-acetonitrile, 5-amino-3-(cyanomethyl)pyrazole-4-carbonitrile, NSC22478, PubChem17700, Bionet2_000176, AC1L3TR6, AC1Q4S2I, 3-Amino-5-cyanomethyl-1H-pyrazole-4-carbonitrile, AC1Q50N3, SCHEMBL1925861, CTK5A2368, DTXSID50203180, aminocyanomethylpyrazolecarbonitrile, HMS1364H22, KS-00000EE2, ZERO/005041, ZINC4555615, ANW-57832, BBL027876, GEO-00107, MFCD00022387, NSC-22478, SBB013153, STK302977, AKOS000122105, AKOS000268357, MCULE-1582802082, RP09927, TRA0024450, VP20128, 3-amino-4-cyano-5-cyanomethyl-pyrazole, 5-amino-4-cyano-3-cyanomethyl pyrazole, AC-24302, AJ-51657, CJ-12147, SY007043, TS-00056, AB0061622, AB1007795, LS-128074, ST4083953, TR-019347, 4-Cyano-5-amino-1H-pyrazole-3-acetonitrile, FT-0620004, 1H-Pyrazole-3-acetonitrile,5-amino-4-cyano-, EN300-02689, 2D-010, K-9846, (5-Amino-4-cyano-1H-pyrazol-3-yl)acetonitrile, MFCD00022387 (97+%), AK-830/25033008, 3-amino-5-(cyanomethyl)-2H-pyrazole-4-carbonitrile, W-200422, I14-17517, Z56779118, 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile #, F1930-0023, null, C6H5N5, C6-H5-N5, CID95185, AR-1C3842, A7952, 5648-68-0,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.054g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	147.141g/mol
Monoisotopic Mass	147.054g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300+H310+H330-H412
Packing Group	Ⅱ
Precautionary statements	P260-P264-P273-P280-P284-P302+P352
UN Code	UN 2811

Certificate of Analysis

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