AG00BCNI

27116-93-4 | Methyl 4-amino-1h-pyrazole-5-carboxylate, HCl

AG00BCNI

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CAS Number	27116-93-4
Catalog Number	AG00BCNI(AGN-PC-0WADWZ)
Chemical Name	Methyl 4-amino-1h-pyrazole-5-carboxylate, HCl
IUPAC Name	methyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride
InChI	InChI=1S/C5H7N3O2.ClH/c1-10-5(9)4-3(6)2-7-8-4;/h2H,6H2,1H3,(H,7,8);1H
InChI Key	CBBBCKOGCFLVDN-UHFFFAOYSA-N
MDL Number	MFCD08752937
Molecular Formula	C5H8ClN3O2
Molecular Weight	177.5889
SMILES	O=C(C1=C(N)C=NN1)OC.[H]Cl
Synonyms	Methyl 4-amino-1H-pyrazole-5-carboxylate hydrochloride, 27116-93-4, AK134904, METHYL 4-AMINO-1H-PYRAZOLE-5-CARBOXYLATE HCL, DTXSID20589605, KS-00000IS9, MIX-0886, ZX-BK002590, MFCD08752937, AKOS005144482, AKOS024398551, DS-1983, MCULE-2543171846, MP-1135, AB0068703, AX8181380, 4CH-009537, ST24031081, Z4528, Methyl 4-amino-1h-pyrazole-5-carboxylate, HCl, methyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride, Methyl 4-amino-1H-pyrazole-5-carboxylate--hydrogen chloride (1/1), C5H8ClN3O2, 1119471-86-1,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.031g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	177.588g/mol
Monoisotopic Mass	177.031g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	81A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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