9-Methyl-9-azabicyclo[3.3.1]nonan-3-one

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Names

[ CAS No. ]:
552-70-5

[ Name ]:
9-Methyl-9-azabicyclo[3.3.1]nonan-3-one

[Synonym ]:
pseudo-Pelletierine
9-Methyl-9-azabicyclo[3.3.1]nonan-3-one
9-Azabicyclo[3.3.1]nonan-3-one, 9-methyl-
EINECS 209-021-1
MFCD00078161

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
246.7±15.0 °C at 760 mmHg

[ Melting Point ]:
63-65°C

[ Molecular Formula ]:
C9H15NO

[ Molecular Weight ]:
153.22

[ Flash Point ]:
95.9±10.0 °C

[ Exact Mass ]:
153.115356

[ PSA ]:
20.31000

[ LogP ]:
0.63

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.497

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CL5593500
CHEMICAL NAME :
9-Azabicyclo(3.3.1)nonan-3-one, 9-methyl-
CAS REGISTRY NUMBER :
552-70-5
LAST UPDATED :
198803
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H15-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,588,1948
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
230 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,588,1948

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CL5593500

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • cis,cis-2,7-cyclooctadienone
  • Methylamine hydrochloride
  • 9-Azabicyclo[3.3.1]nonan-3-one,9-methyl-, hydrochloride (1:1)
  • Cyclooctanone
  • Pyridine
  • glutaraldehyde dioxime
  • N-Methylisopelletierine
  • 3-Oxopentanedioic acid
  • glutaraldehyde

DownStream

  • 9-azabicyclo[3.3.1]nonan-3-one
  • 5-methyl-9-azabicyclo[3.3.1]nonan-3-ol
  • 9-Azabicyclo[3.3.1]nonan-3-one Hydrochloride
  • ENDO-N,9-DIMETHYL-9-AZABICYCLO[3.3.1]NONAN-3-AMINE
  • (+/-)-Pseudopelletierine oxime

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one,hydrochloride
  • 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine
  • 9-methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride
  • 9-methyl-9-benzyl-9-azabicyclo[3.3.1]nonan-3-one bromide
  • 9-Methyl-7-oxa-9-azabicyclo[3.3.1]nonan-3-one
  • euphococcinine
  • 1,4,7,10-Tetrakis(aminocarbonylmethyl)-1,4,7,10-tetraazacyclotridecane
  • 5-Methanesulfinylpyridin-2-amine
  • 7-(Chloromethyl)benzo[d][1,2,3]thiadiazole
  • 6-Acetyl-1,3,3-trimethylindolin-2-one
  • 2-[(4-Bromophenyl)amino]-1-(4-methyl-1-piperazinyl)ethanone
  • 4-(((3-Bromophenyl)amino)methyl)-3-fluorobenzonitrile
  • (2-Chloro-phenyl)-(2,2,2-trifluoro-ethyl)-amine
  • 2-(Oxiran-2-yl)ethan-1-amine
  • 1-[2-[[(4-Fluorophenyl)methyl]amino]ethyl]-2-imidazolidinone
  • 2-fluoro-N-[2-(morpholin-4-yl)ethyl]aniline
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