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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one, compound with 2-aminoethanol (1:1)

Inventory

EC number:
272-574-2
EC name:
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one, compound with 2-aminoethanol (1:1)
CAS number:
68890-66-4
CAS number:
68890-66-4
Synonyms
Names:
Piroctone olamine
Identifier:
CAS number
68890-66-4
Identifier:
IUPAC name
1-hydroxy-4-methyl-6-(2,4,4-trimethylpently)pyridin-2-(1H)-one compound with 2-aminoethanol (1:1)
Identifier:
IUPAC name
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-1,2-dihydropyridin-2-one; 2-aminoethan-1-ol
Identifier:
IUPAC name
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one, compound with 2-aminoethanol (1:1)
Identifier:
IUPAC name
2-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
Identifier:
IUPAC name
Piroctone Olamine
Identifier:
other: Molecular formula
C14H23NO2.C2H7NO
Identifier:
other: SMILES notation
CC(CC1=CC(=CC(=O)N1O)C)CC(C)(C)C.NCCO
Identifier:
other: InChl
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
Identifier:
other: SMILES notation
C(C[C@@H](C)Cc1n(c(cc(c1)C)=O)O)(C)(C)C.NCCO
Identifier:
other: Molecular formula
C16H30N2O3
Identifier:
other: SMILES notation
CC1=CC(=O)N(C(=C1)CC(C)CC(C)(C)C)O.C(CO)N
Identifier:
other: InChl
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
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one - 2-aminoethanol (1:1)

Molecular and structural information

Molecular formula:
C14H23NO2.C2H7NO
Molecular weight:
298.421
SMILES notation:
CC(CC1=CC(=CC(=O)N1O)C)CC(C)(C)C.NCCO
InChl:
InChI=1/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
Structural formula:
Chemical structure

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