1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester
Suppliers
Names
[ CAS No. ]:
31539-88-5
[ Name ]:
1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester
[Synonym ]:
Dehydroquinuclidine-3-carboxylic acid
Methyl dehydroquinuclidine-3-carboxylate
3-methoxycarbonyl-2,3-didehydroquinuclidine
Chemical & Physical Properties
[ Density]:
1.16g/cm3
[ Boiling Point ]:
250.5ºC at 760mmHg
[ Molecular Formula ]:
C9H13NO2
[ Molecular Weight ]:
167.20500
[ Flash Point ]:
103.4ºC
[ Exact Mass ]:
167.09500
[ PSA ]:
29.54000
[ LogP ]:
0.70680
[ Index of Refraction ]:
1.538
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CL6176000
- CHEMICAL NAME :
- 1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl ester
- CAS REGISTRY NUMBER :
- 31539-88-5
- BEILSTEIN REFERENCE NO. :
- 0132895
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H13-N-O2
- MOLECULAR WEIGHT :
- 167.23
- WISWESSER LINE NOTATION :
- T66 A B CN AUTJ AVO1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 19 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - urine volume increased
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 35,55,1972
Safety Information
[ HS Code ]:
2933990090
Synthetic Route
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%