Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride supplier

Name
1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-propynyl]-4-(tert-butyl)piperidinium chloride
EINECS
CAS No. 81613-60-7
Density g/cm³
Solubility
Melting Point
Formula C₂₀H₂₃F₆N•ClH
Boiling Point 361.8°Cat760mmHg
Molecular Weight 427.90
Flash Point 172.6°C
Transport Information
Appearance
Safety A poison by ingestion. When heated to decomposition it emits toxic vapors of NO_x, HCl, and F⁻.
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 3.24000
LogP 6.57370

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

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 NO_x, 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 NO_x, 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).

Product Name

1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-propynyl]-4-(tert-butyl)piperidinium chloride

Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride Chemical Properties

Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride Toxicity Data With Reference

Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride Safety Profile

Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride Specification

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