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Cas Database |
| Name |
Methyl 4-(4-piperidyl)benzoate hydrochloride |
EINECS | N/A |
| CAS No. | 936130-82-4 | Density | N/A |
| PSA | 38.33000 | LogP | 3.07100 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H17NO2.HCl | Boiling Point | 371.4 °C at 760 mmHg |
| Molecular Weight | 255.744 | Flash Point | 178.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-PIPERIDIN-4-YL-BENZOIC ACID METHYL ESTER HCL;4-(4-METHOXYCARBONYLPHENYL) PIPERIDINE HYDROCHLORIDE;METHYL 4-(PIPERIDIN-4-YL)BENZOATE HYDROCHLORIDE;Methyl 4-(4-piperidyl)benzoate hydrochloride;4-Piperidin-4-yl-benzoic acid methyl ester hydrochloride;Benzoic acid, 4-(4-piperidinyl)-, Methyl ester, hydrochloride |
Article Data | 3 |
Methyl 4-(4-piperidyl)benzoate hydrochloride Specification
The Methyl 4-(4-piperidyl)benzoate hydrochloride, with CAS registry number 936130-82-4, belongs to the following product category: Pharmacetical. It has the systematic name of methyl 4-(4-piperidyl)benzoate hydrochloride. Besides this, it is also called 4-Piperidin-4-yl-benzoic acid methyl ester HCl. And the chemical formula of this chemical is C13H17NO2.HCl.
Physical properties of Methyl 4-(4-piperidyl)benzoate hydrochloride: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 38.33 Å2; (7)Enthalpy of Vaporization: 63.05 kJ/mol; (8)Vapour Pressure: 7.09E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.COC(=O)c1ccc(cc1)C2CCNCC2
(2)InChI: InChI=1/C13H17NO2.ClH/c1-16-13(15)12-4-2-10(3-5-12)11-6-8-14-9-7-11;/h2-5,11,14H,6-9H2,1H3;1H
(3)InChIKey: RBOHZKFJKGYRPA-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H17NO2.ClH/c1-16-13(15)12-4-2-10(3-5-12)11-6-8-14-9-7-11;/h2-5,11,14H,6-9H2,1H3;1H
(5)Std. InChIKey: RBOHZKFJKGYRPA-UHFFFAOYSA-N
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