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| CAS No.: | 721958-70-9 |
|---|---|
| Name: | 4-(3-AMINOPHENYL)PIPERIDINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C11H17ClN2 |
| Molecular Weight: | 212.72 |
| Synonyms: | 4-(3-Aminophenyl)piperidine hydrochloride; |
| Boiling Point: | 359.6 °C at 760 mmHg |
| Flash Point: | 171.3 °C |
| PSA: | 38.05000 |
| LogP: | 3.44780 |
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Specification
The 4-(3-Aminophenyl)piperidine dihydrochloride, with the CAS registry number 721958-70-9, is also known as 4-(3-Aminophenyl)piperidine hydrochloride. This chemical's molecular formula is C11H17ClN2 and molecular weight is 212.7191. What's more, its IUPAC name is 3-Piperidin-4-ylaniline hydrochloride.
Physical properties about 4-(3-Aminophenyl)piperidine dihydrochloride are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 38.05 Å2; (7)Flash Point: 171.3 °C; (8)Enthalpy of Vaporization: 61.71 kJ/mol; (9)Boiling Point: 359.6 °C at 760 mmHg; (10)Vapour Pressure: 1.64E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Nc1cc(ccc1)C2CCNCC2
(2) InChI: InChI=1/C11H16N2.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7,12H2;1H
(3) InChIKey: NIEAWKIGQRWSIX-UHFFFAOYAI