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CAS No.: | 37675-19-7 |
---|---|
Name: | (R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H15NO2.HCl |
Molecular Weight: | 193.674 |
Synonyms: | 3-Piperidinecarboxylicacid, ethyl ester, hydrochloride, (3R)- (9CI);3-Piperidinecarboxylic acid,ethyl ester, hydrochloride, (R)-; |
Boiling Point: | 254 °C at 760 mmHg |
Flash Point: | 107.4 °C |
PSA: | 38.33000 |
LogP: | 1.67990 |
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The CAS register number of (R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride is 37675-19-7. It also can be called as 3-Piperidinecarboxylicacid, ethyl ester, hydrochloride (1:1), (3R)- and the systematic name about this chemical is ethyl piperidine-3-carboxylate hydrochloride (1:1). The molecular formula about this chemical is C8H15NO2.HCl and the molecular weight is 193.67.
Physical properties about (R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride are: (1)ACD/LogP: 0.96 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 38.33Å2; (10)Flash Point: 107.4 °C; (11)Enthalpy of Vaporization: 50.13 kJ/mol; (12)Boiling Point: 254 °C at 760 mmHg; (13)Vapour Pressure: 0.014 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OCC)C1CNCCC1
(2)InChI: InChI=1/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H
(3)InChIKey: ZCEGLOKZSLNARG-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H
(5)Std. InChIKey: ZCEGLOKZSLNARG-UHFFFAOYSA-N