AG00DFZR

54385-49-8 | 3-amino-1H-pyrazole-4,5-dicarbonitrile

AG00DFZR

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CAS Number	54385-49-8
Catalog Number	AG00DFZR(AGN-PC-0OC1RQ)
Chemical Name	3-amino-1H-pyrazole-4,5-dicarbonitrile
IUPAC Name	3-amino-1H-pyrazole-4,5-dicarbonitrile
InChI	InChI=1S/C5H3N5/c6-1-3-4(2-7)9-10-5(3)8/h(H3,8,9,10)
InChI Key	ZPICOUKAFAPIOK-UHFFFAOYSA-N
MDL Number	MFCD06661878
Molecular Formula	C5H3N5
Molecular Weight	133.1108
NSC Number	363020
SMILES	N#CC1=NNC(N)=C1C#N
Synonyms	54385-49-8, 5-amino-1h-pyrazole-3,4-dicarbonitrile, 3-amino-1H-pyrazole-4,5-dicarbonitrile, 3-Aminopyrazole-4,5-dicarbonitrile, 3,4-Dicyano-5-aminopyrazole, NSC363020, AC1L7ONJ, SCHEMBL1847850, SCHEMBL11463109, CTK5A0782, KS-00000PJZ, DTXSID20320676, ZPICOUKAFAPIOK-UHFFFAOYSA-N, 5-aminopyrazole-3,4-dicarbonitrile, MFCD06661878, ZINC18183376, AKOS004910357, AKOS006318422, NSC-363020, AK320359, DA-17987, DS-11680, 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-, 3-cyano-5-amino-1H-pyrazole-4-carbonitrile, CS-0059702, FT-0749904, S14-2736, CID338830,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	133.039g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	133.114g/mol
Monoisotopic Mass	133.039g/mol
Rotatable Bond Count	0
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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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