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| Name |
Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride |
EINECS | N/A |
| CAS No. | 81613-60-7 | Density | g/cm3 |
| PSA | 3.24000 | LogP | 6.57370 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H23F6N•ClH | Boiling Point | 361.8°Cat760mmHg |
| Molecular Weight | 427.90 | Flash Point | 172.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, HCl, and F−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-(3-(3,5-Bis(trifluoromethyl)phenyl)-2-propynyl)-4-(tert-butyl)piperidinium chloride;1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butylpiperidine hydrochloride;EINECS 279-786-4;Piperidine,1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-,hydrochloride; |
Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride Chemical Properties
IUPAC Name: 1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butylpiperidine hydrochloride
Empirical Formula: C20H24ClF6N
Molecular Weight: 427.8547g/mol
H-Bond Donor: 1
H-Bond Acceptor: 7
Rotatable Bond Count: 3
Exact Mass: 427.150147
MonoIsotopic Mass: 427.150147
Topological Polar Surface Area: 3.2
Heavy Atom Count: 28
Formal Charge: 0
Complexity: 529
Flash Point: 172.6 °C
Enthalpy of Vaporization: 60.76 kJ/mol
Boiling Point: 361.8 °C at 760 mmHg
Vapour Pressure: 2.02E-05 mmHg at 25°C
Canonical SMILES: CC(C)(C)C1CCN(CC1)CC#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.Cl
InChI: InChI=1S/C20H23F6N.ClH/c1-18(2,3)15-6-9-27(10-7-15)8-4-5-14-11-16(19(21,22)23)13-17(12-14)20(24,25)26;/h11-13,15H,6-10H2,1-3H3;1H
InChIKey: NLECRQYFKWPVEQ-UHFFFAOYSA-N
Structure of Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride (CAS NO.81613-60-7):
Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride Toxicity Data With Reference
| 1. | orl-mus LD50:23 mg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #4347252 . |
Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, HCl, and F−.
Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride Specification
Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride , its cas register number is 81613-60-7. It also can be called 1-(3-(3,5-Bis(trifluoromethyl)phenyl)-2-propynyl)-4-(tert-butyl)piperidinium chloride ;
EINECS 279-786-4 .When heated to decomposition it emits toxic vapors of NOx, HCl, and F−. Wear suitable protective clothing when contact with Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride (CAS NO.81613-60-7).
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