AG00CKTT

359867-35-9 | 3H-Pyrazol-3-one, 5-amino-1-(1,1-dimethylethyl)-1,2-dihydro- (9CI)

AG00CKTT

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CAS Number	359867-35-9
Catalog Number	AG00CKTT(AGN-PC-0447J3)
Chemical Name	3H-Pyrazol-3-one, 5-amino-1-(1,1-dimethylethyl)-1,2-dihydro- (9CI)
IUPAC Name	3-amino-2-tert-butyl-1H-pyrazol-5-one
InChI	InChI=1S/C7H13N3O/c1-7(2,3)10-5(8)4-6(11)9-10/h4H,8H2,1-3H3,(H,9,11)
InChI Key	BROXQDABYJKKCG-UHFFFAOYSA-N
MDL Number	MFCD14607822
Molecular Formula	C7H13N3O
Molecular Weight	155.1976
SMILES	OC1=NN(C(C)(C)C)C(N)=C1
Synonyms	359867-35-9, 5-Amino-1-(tert-butyl)-1H-pyrazol-3-ol, 5-amino-1-tert-butyl-2,3-dihydro-1H-pyrazol-3-one, 5-Amino-1-(tert-butyl)-1,2-dihydro-3H-pyrazol-3-one, SCHEMBL6647361, DTXSID10634496, BROXQDABYJKKCG-UHFFFAOYSA-N, ACN-C000582, MFCD14607822, ZINC40907098, 3H-Pyrazol-3-one, 5-amino-1-(1,1-dimethylethyl)-1,2-dihydro- (9CI), AKOS010514962, AKOS026726842, NE61831, 3-amino-2-tert-butyl-1H-pyrazol-5-one, 5-amino-1-tert-butyl-1H-pyrazol-3-ol, AK139679, AJ-103836, EN300-83282, 5-Amino-1-tert-butyl-1,2-dihydropyrazol-3-one, 5-Amino-1-tert-butyl-1,2-dihydro-3H-pyrazol-3-one, I14-13877, 3h-pyrazol-3-one,5-amino-1-(1,1-dimethylethyl)-1,2-dihydro-, 3H-Pyrazol-3-one,5-amino-1- -1,2-dihydro-, N/A,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.106g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	155.201g/mol
Monoisotopic Mass	155.106g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

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