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Product Name: 1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester
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31539-88-5

31539-88-5 structure

31539-88-5 structure

Name: 1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester
Chemical Name: Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate
CAS Number: 31539-88-5
Molecular Formula: C₉H₁₃NO₂
Molecular Weight: 167.20500
Create Date: 2016-10-13 03:08:24
Modify Date: 2025-08-29 11:11:38

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

106037-35-8 structure

106037-35-8

~%

31539-88-5 structure

31539-88-5

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

57598-88-6 structure

57598-88-6

~%

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%

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