AG01E7ED

1342836-25-2 | tert-butyl 3-amino-1H-pyrazole-5-carboxylate

AG01E7ED

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CAS Number	1342836-25-2
Catalog Number	AG01E7ED(AGN-PC-0WCZ3Z)
Chemical Name	tert-butyl 3-amino-1H-pyrazole-5-carboxylate
IUPAC Name	tert-butyl 3-amino-1H-pyrazole-5-carboxylate
InChI	InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)5-4-6(9)11-10-5/h4H,1-3H3,(H3,9,10,11)
InChI Key	ITFBGIMBWKOUMY-UHFFFAOYSA-N
MDL Number	MFCD28127790
Molecular Formula	C8H13N3O2
Molecular Weight	183.2077
SMILES	O=C(C1=NNC(N)=C1)OC(C)(C)C
Synonyms	tert-butyl 5-amino-1H-pyrazole-3-carboxylate, 1342836-25-2, tert-butyl 3-amino-1H-pyrazole-5-carboxylate, SCHEMBL14688318, ITFBGIMBWKOUMY-UHFFFAOYSA-N, ZINC70647383, AKOS013850635, DA-45902, AX8265284, FT-0725522, Z2418193648,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.101g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	183.211g/mol
Monoisotopic Mass	183.101g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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