Chem
J-GLOBAL ID:200907050592777735   Nikkaji number:J667.406B

HO-Methyl NNK

HO-メチルNNK
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C10H13N3O3
Molecular formula furigana: C10-H13-N3-O3
Molecular weight: 223.232
InChI: InChI=1S/C10H13N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,14H,2,4,6,8H2
InChI key: DADWKWOJOMSGPK-UHFFFAOYSA-N
SMILES: OCN(CCCC(=O)c1cccnc1)N=O
Systematic name  (4):
  • 1-(3-ピリジニル)-4-[(ヒドロキシメチル)ニトロソアミノ]ブタン-1-オン
  • 4-(N-ヒドロキシメチル-N-ニトロソアミノ)-1-(3-ピリジニル)-1-ブタノン
  • 4-[(ヒドロキシメチル)(ニトロソ)アミノ]-1-(ピリジン-3-イル)ブタン-1-オン
  • 4-[(hydroxymethyl)(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
Other name (3):
  • 4-(N-Hydroxymethyl-N-nitrosoamino)-1-(3-pyridinyl)-1-butanone
  • HO-メチルNNK
  • HO-Methyl NNK
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