AG00FFBJ

70500-80-0 | 5-Amino-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester

AG00FFBJ

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CAS Number	70500-80-0
Catalog Number	AG00FFBJ(AGN-PC-002VKQ)
Chemical Name	5-Amino-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
IUPAC Name	ethyl 5-amino-1-methylpyrazole-3-carboxylate
InChI	InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)10(2)9-5/h4H,3,8H2,1-2H3
InChI Key	KTRQSZBRYRHIKL-UHFFFAOYSA-N
MDL Number	MFCD06357432
Molecular Formula	C7H11N3O2
Molecular Weight	169.1811
SMILES	O=C(C1=NN(C)C(N)=C1)OCC
Synonyms	ethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate, 70500-80-0, AK130330, 1H-Pyrazole-3-carboxylic acid, 5-amino-1-methyl-, ethyl ester, 5-AMINO-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER, SCHEMBL8003314, KS-00000PEI, DTXSID60564951, KTRQSZBRYRHIKL-UHFFFAOYSA-N, FCH856095, MFCD07388488, ZINC26466505, AKOS006286334, ACN-000062, CS-W007101, SB11381, AJ-82424, AN-37710, AS-41959, SC-68465, 5-amino-3-ethoxycarbonyl-1-methylpyrazole, AB0049302, AX8221353, DB-074311, A9295, FT-0726120, ST24047076, ethyl 5-amino-1-methyl-pyrazole-3-carboxylate, 5-Amino-1-methyl-1H-pyrazole-3-carboxylicacidethylester, 5-Amino-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester HCl Salt, Ethyl5-amino-1-methyl-1H-pyrazole-3-carboxylate,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.085g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.184g/mol
Monoisotopic Mass	169.085g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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