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

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

Biological Activity

[Description]:

Pseudopelletierine is an alkaloid compound that can be used as a enzyme substrate[1].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. Boswell, H. D., et al. Metabolism of N-alkyldiamines and N-alkylnortropinones by transformed root cultures of Nicotiana and Brugmansia. Phytochemistry, (1999).52(5), 855-869.

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

DownStream

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%