AG0036LQ

6825-71-4 | ethyl 3,5-diaMino-1H-pyrazole-4-carboxylate

AG0036LQ

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CAS Number	6825-71-4
Catalog Number	AG0036LQ(AGN-PC-0L5SHH)
Chemical Name	ethyl 3,5-diaMino-1H-pyrazole-4-carboxylate
IUPAC Name	ethyl 3,5-diamino-1H-pyrazole-4-carboxylate
InChI	InChI=1S/C6H10N4O2/c1-2-12-6(11)3-4(7)9-10-5(3)8/h2H2,1H3,(H5,7,8,9,10)
InChI Key	HRAWNPOJGRIJSB-UHFFFAOYSA-N
MDL Number	MFCD04070845
Molecular Formula	C6H10N4O2
Molecular Weight	170.1692
SMILES	NC1=NNC(=C1C(=O)OCC)N
Synonyms	Ethyl 3,5-diamino-1H-pyrazole-4-carboxylate, 6825-71-4, Ethyl 3,5-diamino-4-pyrazolecarboxylate, AK118790, 3,5-Diamino-1H-pyrazole-4-carboxylic acid ethyl ester, 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, ethyl ester, ethyl 3,5-diaminopyrazole-4-carboxylate, AC1N4BKE, SCHEMBL942577, CTK1J2357, DTXSID00399608, HRAWNPOJGRIJSB-UHFFFAOYSA-N, QC-97, CS-D0480, ZINC6463766, 0520AC, FCH917198, MFCD04070845, SBB018757, STK694390, AKOS005605849, DS-5403, MCULE-7693371169, AJ-56205, ST097618, AX8244206, 4CH-022142, FT-0686288, ST24046898, ethyl 3,5-diamino-2H-pyrazole-4-carboxylate, C6H10N4O2, CID4126248,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.08g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	170.172g/mol
Monoisotopic Mass	170.08g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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