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Cas Database |
| Name |
1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester hydrochloride |
EINECS | N/A |
| CAS No. | 33630-87-4 | Density | N/A |
| PSA | 29.54000 | LogP | 1.50880 |
| Solubility | N/A | Melting Point |
178-179 °C (decomp)(Solv: acetone (67-64-1)) |
| Formula | C9H13NO2.HCl | Boiling Point | 287.1 °C at 760 mmHg |
| Molecular Weight | 203.669 | Flash Point | 127.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylicacid, methyl ester, hydrochloride (6CI,8CI,9CI);Methyl2,3-dehydroquinuclidine-3-carboxylate hydrochloride; |
Article Data | 2 |
1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester hydrochloride 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
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