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33630-87-4

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Basic Information
CAS No.: 33630-87-4
Name: 1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester hydrochloride
Article Data: 2
Molecular Structure:
Molecular Structure of 33630-87-4 (1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester hydrochloride)
Formula: C9H13NO2.HCl
Molecular Weight: 203.669
Synonyms: 1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylicacid, methyl ester, hydrochloride (6CI,8CI,9CI);Methyl2,3-dehydroquinuclidine-3-carboxylate hydrochloride;
Melting Point: 178-179 °C (decomp)(Solv: acetone (67-64-1))
Boiling Point: 287.1 °C at 760 mmHg
Flash Point: 127.4 °C
PSA: 29.54000
LogP: 1.50880
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Specification

The CAS register number of 1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester hydrochloride is 33630-87-4. It also can be called as Methyl 2,3-dehydroquinuclidine-3-carboxylate hydrochloride and the systematic name about this chemical is methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate hydrochloride.

Physical properties about 1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester hydrochloride are: (1)ACD/LogP: 1.13; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 29.54Å2; (5)Flash Point: 127.4 °C; (6)Enthalpy of Vaporization: 53.68 kJ/mol; (7)Boiling Point: 287.1 °C at 760 mmHg; (8)Vapour Pressure: 0.00193 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.COC(=O)/C2=C/N1CCC2CC1
(2)InChI: InChI=1/C9H13NO2.ClH/c1-12-9(11)8-6-10-4-2-7(8)3-5-10;/h6-7H,2-5H2,1H3;1H
(3)InChIKey: CUHBWBLVDKMWAH-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H13NO2.ClH/c1-12-9(11)8-6-10-4-2-7(8)3-5-10;/h6-7H,2-5H2,1H3;1H
(5)Std. InChIKey: CUHBWBLVDKMWAH-UHFFFAOYSA-N