AG007SCN

112779-14-3 | Ethyl 5-amino-1-tert-butylpyrazole-4-carboxylate

AG007SCN

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CAS Number	112779-14-3
Catalog Number	AG007SCN(AGN-PC-0P3WUA)
Chemical Name	Ethyl 5-amino-1-tert-butylpyrazole-4-carboxylate
IUPAC Name	ethyl 5-amino-1-tert-butylpyrazole-4-carboxylate
InChI	InChI=1S/C10H17N3O2/c1-5-15-9(14)7-6-12-13(8(7)11)10(2,3)4/h6H,5,11H2,1-4H3
InChI Key	DJFSJKPXNYYPFK-UHFFFAOYSA-N
MDL Number	MFCD06637286
Molecular Formula	C10H17N3O2
Molecular Weight	211.2609
SMILES	O=C(C1=C(N)N(C(C)(C)C)N=C1)OCC
Synonyms	112779-14-3, ethyl 5-amino-1-tert-butyl-1H-pyrazole-4-carboxylate, Ethyl 5-amino-1-(tert-butyl)-1H-pyrazole-4-carboxylate, ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE, EN300-42752, 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(1,1-dimethylethyl)-, ethyl ester, ACMC-1C39R, AC1Q332E, SCHEMBL1406913, CTK4A7968, DTXSID90550165, DJFSJKPXNYYPFK-UHFFFAOYSA-N, MFCD06637286, ZINC20078730, AKOS000260189, ACN-000127, QC-4458, RD-0181, SB12162, AJ-76019, AK-56690, AN-33464, AS-11498, TZ000672, AB0010206, AX8129045, DB-060241, RT-012623, CS-0035629, FT-0702205, M-2083, ethyl 5-amino-1-tert-butyl-pyrazole-4-carboxylate, ethyl 5-amino-1-t-butyl-1H-pyrazole-4-carboxylate, J-002835, J-521096, Ethyl5-amino-1-tert-butyl-1H-pyrazole-4-carboxylate, I14-11637, 5-amino-1-tert-butyl-1H-pyrazole-4-carboxylic acid ethyl ester, Ethyl 5-amino-1-(2-methyl-2-propanyl)-1H-pyrazole-4-carboxylate, C10H17N3O2, A2274,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.132g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.265g/mol
Monoisotopic Mass	211.132g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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