AG00IBVO

68890-66-4 | 2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd.with 2-aminoethanol (1:1)OTHER CA INDEX NAMES:Ethanol, 2-amino-, compd. with1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridinone (1:1)

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CAS Number	68890-66-4
Catalog Number	AG00IBVO(AGN-PC-0TTZ7J)
Chemical Name	2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd.with 2-aminoethanol (1:1)OTHER CA INDEX NAMES:Ethanol, 2-amino-, compd. with1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridinone (1:1)
EC Number	272-574-2
IUPAC Name	2-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
InChI	InChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11,17H,7,9H2,1-5H3;4H,1-3H2
InChI Key	BTSZTGGZJQFALU-UHFFFAOYSA-N
MDL Number	MFCD01690792
Molecular Formula	C16H30N2O3
Molecular Weight	298.4210
SMILES	O=C1C=C(C)C=C(CC(C)CC(C)(C)C)N1O.NCCO
Synonyms	octopirox, piroctone olamine, PIROCTONE OLAMINE, 68890-66-4, Octopirox, Kopirox, Piroctone ethanolamine, Piroctone olamine [USAN], C14H23NO2.C2H7NO, EINECS 272-574-2, 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one compound with 2-aminoethanol (1:1), Piroctone olamine (USAN), 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridone compound with 2-aminoethanol (1:1), 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one, compound with 2-aminoethanol (1:1), 2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd. with 2-aminoethanol (1:1), 2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compound with 2-aminoethanol (1:1), W-104652, 2-aminoethanol; 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one, 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone, 2-aminoethanol salt, piroctone-olamine, Octopirox (TN), EC 272-574-2, AC1L18QZ, SCHEMBL2843, CHEMBL2107154, Octopirox/ Piroctone ethanolamine, HY-B1345, MFCD01690792, Piroctone olamine, analytical standard, AKOS025149526, API0003661, CS-7659, KS-0000113P, AN-38027, AS-15254, CC-33827, O639, LS-133057, FT-0653357, P2178, D05505, M-1284, 890P664, 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridone Ethanolamine, 2-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one, Piroctone olamine, United States Pharmacopeia (USP) Reference Standard, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-1,2-dihydropyridin-2-one; 2-aminoethan-1-ol, 2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd.with 2-aminoethanol (1:1)OTHER CA INDEX NAMES:Ethanol, 2-amino-, compd. with1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridinone (1:1), Piroctoneolamine, Piroctone ethanolamine salt, UNII-A4V5C6R9FB, A4V5C6R9FB, ACN-S002088, CID50258, C14-H23-N-O2.C2-H7-N-O, C052599, 1-Hydroxy-4-methyl-6(2,4,4-trimethylpentyl)2-pyridon monoethanolamine salt, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one, 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2 pyridon and its monoethanolamine salt, 1- hydroxy- 4- methyl- 6- (2, 4, 4- trimethylpentyl)pyridin- 2(1H)- one, compound with 2- aminoethanol (1:1),

Complexity	371
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	298.226g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	298.427g/mol
Monoisotopic Mass	298.226g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	86.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

Lot Number