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| CAS No.: | 737000-77-0 |
|---|---|
| Name: | 3-Fluoropiperidine hydrochloride |
| Molecular Structure: | |
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| Formula: | C5H10FN.HCl |
| Molecular Weight: | 139.5989 |
| Synonyms: | 3-Fluoropiperidine hydrochloride;Piperidine,3-fluoro-, hydrochloride (9CI);3-Fluoropiperidine hydrochloride (1:1);Piperidine, 3-fluoro-, hydrochloride (1:1); |
| Melting Point: | 227°C |
| Boiling Point: | 120.2 °C at 760 mmHg |
| Flash Point: | 26.5 °C |
| Hazard Symbols: | R22-36/37/38:; |
| Risk Codes: | Xi,Xn:; ">  Xi,Xn:; |
| PSA: | 12.03000 |
| LogP: | 1.83870 |
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Specification
The 3-Fluoropiperidine hydrochloride, with the CAS registry number 737000-77-0, has the systematic name of 3-fluoropiperidine hydrochloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H10FN.HCl.
The characteristics of 3-Fluoropiperidine hydrochloride are as followings: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.44; (4)ACD/LogD (pH 7.4): -1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 26.5 °C; (14)Enthalpy of Vaporization: 35.83 kJ/mol; (15)Boiling Point: 120.2 °C at 760 mmHg; (16)Vapour Pressure: 15.4 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.FC1CCCNC1
(2)InChI: InChI=1/C5H10FN.ClH/c6-5-2-1-3-7-4-5;/h5,7H,1-4H2;1H
(3)InChIKey: RDJUBLSLAULIAT-UHFFFAOYAB