3-anilino-5,5-dimethyl-2-cyclohexen-1-one

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Names

[ CAS No. ]:
18940-21-1

[ Name ]:
3-anilino-5,5-dimethyl-2-cyclohexen-1-one

[Synonym ]:
5,5-dimethyl-3-phenylamino-cyclohex-2-enone
5,5-dimethyl-3-phenylaminocyclohex-2-en-1-one

Chemical & Physical Properties

[ Density]:
1.089g/cm3

[ Boiling Point ]:
331.6ºC at 760 mmHg

[ Molecular Formula ]:
C14H17NO

[ Molecular Weight ]:
215.29100

[ Flash Point ]:
123.9ºC

[ Exact Mass ]:
215.13100

[ PSA ]:
29.10000

[ LogP ]:
3.44450

[ Vapour Pressure ]:
0.000154mmHg at 25°C

[ Index of Refraction ]:
1.582

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW7190800
CHEMICAL NAME :
2-Cyclohexen-1-one, 5,5-dimethyl-3-(phenylamino)-
CAS REGISTRY NUMBER :
18940-21-1
BEILSTEIN REFERENCE NO. :
2097764
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H17-N-O
MOLECULAR WEIGHT :
215.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 36,1947,1993
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 36,1947,1993

Safety Information

[ HS Code ]:
2922399090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2922399090

[ Summary ]:
2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 2,2'-Methylen-bis(3-anilino-5,5-dimethyl-2-cyclohexen-1-on)
  • 3-propionyloxy-5,5-dimethyl-2-cyclohexen-1-one
  • 3-chloro-5,5-dimethyl-2-cyclohexen-1-one
  • 3-chloroacetoxy-5,5-dimethyl-2-cyclohexen-1-one
  • 3-(DIMETHYLAMINO)-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE
  • 3-Anilino-2-dimethylaminomethyl-5,5-dimethyl-2-cyclohexen-1-on
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-thiazol-2-ylcyclohexanamine
  • (7-Chloronaphthalen-1-yl)methanamine
  • 6-Amino-N-cyclopropyl-N-methyl-3-pyridinemethanamine
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (S)-3-Cyclohexyl-1,1,1-trifluoropropan-2-amine
  • 6-(furan-2-yl)-2-(morpholin-4-ylmethyl)pyridazin-3(2H)-one
  • 2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]acetamide