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31539-88-5

31539-88-5 structure
31539-88-5 structure

Name Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate
Synonyms Dehydroquinuclidine-3-carboxylic acid
Methyl dehydroquinuclidine-3-carboxylate
3-methoxycarbonyl-2,3-didehydroquinuclidine
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

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
HS Code 2933990090

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31539-88-5 structure

31539-88-5

Literature: Grob et al. Helvetica Chimica Acta, 1957 , vol. 40, p. 2170,2176

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31539-88-5 structure

31539-88-5

Literature: Grob; Renk Helvetica Chimica Acta, 1954 , vol. 37, p. 1672,1676
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%