4-(N-nitrosomethylamino)-1-(3-pyridyl)-1-butanone 4-N-亚硝基甲基氨-1-(3-吡啶基)丁酮

CAS 64091-91-4 MFCD00274580

化学结构图

64091-91-4
SMILES: CN(CCCC(=O)C1C=NC=CC=1)N=O

化学属性

Mol. FormulaC10H13N3O2
Mol. Weight207
Melting Point65-67
TSCANo

别名和识别编码

Chemical Name4-(N-nitrosomethylamino)-1-(3-pyridyl)-1-butanone
CAS Number64091-91-4
Synonym NNK 4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone 4-(Nitrosoamino-N-methyl)-1-(3-pyridyl)-1-butanone 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone 4-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone 4-(甲基亚硝胺)-1-(3-吡啶基)-1-丁酮 NNK N-Methyl-N-nitroso-4-oxo-4-(3-pyridyl)butyl amine 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-
MDL NumberMFCD00274580
EC Number000-000-0
Beilstein Registry Number3548355
Chemical Name Translation4-N-亚硝基甲基氨-1-(3-吡啶基)丁酮
Wiswesser Line NotationT6NJ CV3N1&NO
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分类

  • Nicotine Derivatives
  • Mutagenesis Research Chemicals
  • Aromatics
  • {SNA} Alphabetic, Analytical Standards, Analytical/Chromatography, Chromatography, Food & Beverage Standards, Food Residue Analysis, M, META - METH, Nitrosamines, Standards for SupelMIP SPE
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, Food & Beverage Standards, Food Residuals, M, META - METH, Nitrosamines, Standards for SupelMIP SPE

产品应用

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相关文献及参考

  • Koenigs, L., et al.: Drug Metab. Dispos., 25, 1407 (1997),
  • Gu, J., et al.: Toxicol. Appl. Pharmacol., 165, 158 (2000),
  • Jalas, J., et al.: Chem. Res. Toxicol., 18, 95(2005),

安全信息

RTECSOB6465000
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
Risk Statements
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R22 Harmful if swallowed 吞咽有害
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R45 May cause cancer 可能致癌
GHS Symbol
Precautionary statements
  • P301+P310
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
Hazard statements
  • H351 Suspected of causing cancer 怀疑致癌
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H301 Toxic if swallowed 吞食有毒
WGK Germany3
Signal word
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes Xn
Packing GroupIII
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 41452 ug/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 11,1017,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 880 mg/kg/95W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Gastrointestinal - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 10,1977,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 1504 mg/kg/25W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Sense Organs and Special Senses (Olfaction) - tumors
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   IAPUDO IARC Publications.  (WHO Publications Centre USA, 49 Sheridan Ave.,
   Albany, NY 12210) No.27-    1979-  Volume(issue)/page/year: 41,309,1982

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 106 mg/kg/20W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th &

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   46,173,1989

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 umol/plate
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 100 mg/L
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   46,173,1989

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 50 mg/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 1

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 1200 mg/kg/12D (Continuous)
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   46,1280,1986

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - rat Cells - not otherwise specified
DOSE/DURATION           : 50 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   46,173,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intratracheal
SPECIES OBSERVED        : Rodent - hamster
DOSE                    : 50 mg/kg
SEX/DURATION            : female 15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Tumorigenic effects - transplacental tumorigenesis
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   53,2498,1993

UN Number

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