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Name	Pirmenol hydrochloride	EINECS	N/A
CAS No.	61477-94-9	Density	g/cm³
PSA	36.36000	LogP	5.10050
Solubility	N/A	Melting Point	171-172 °C
Formula	C₂₂H₃₀N₂O•ClH	Boiling Point	499.6°Cat760mmHg
Molecular Weight	375.00	Flash Point	256°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by ingestion and intravenous routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x and HCl.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Pirmenol hydrochloride monohydrate;Pirmenol HCl;Pirmenol hydrochloride (USAN);4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylbutan-1-ol hydrochloride;CI 845;pirmenol hydrochloride;

Pirmenol hydrochloride Chemical Properties

IUPAC Name: 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylbutan-1-olhydrochloride
Empirical Formula: C₂₂H₃₁ClN₂O
Molecular Weight: 374.9473g/mol
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 374.212491
MonoIsotopic Mass: 374.212491
Topological Polar Surface Area: 36.4
Heavy Atom Count: 26
Formal Charge: 0
Complexity: 386
Flash Point: 256 °C
Enthalpy of Vaporization: 80.88 kJ/mol
Boiling Point: 499.6 °C at 760 mmHg
Vapour Pressure: 8.39E-11 mmHg at 25°C
Canonical SMILES: CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl
Isomeric SMILES: C[C@@H]1CCC[C@@H](N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl
InChI: InChI=1S/C22H30N2O.ClH/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21;/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3;1H/t18-,19+,22?;
InChIKey: HFIHPVIVQSWZBV-ROSXHPEZSA-N
Structure of Pirmenol hydrochloride (CAS NO.61477-94-9):

Pirmenol hydrochloride Toxicity Data With Reference

1.	cyt-ham:lng 1500 mg/L	MUREAV Mutation Research. 280 (1992),205.
2.	orl-rat LD50:251 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 56 (1980),294.
3.	ivn-rat LD50:7900 µg/kg	TXAPA9 Toxicology and Applied Pharmacology. 56 (1980),294.
4.	orl-mus LD50:159 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 56 (1980),294.
5.	ivn-mus LD50:16 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 56 (1980),294.

Pirmenol hydrochloride Safety Profile

Poison by ingestion and intravenous routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x and HCl.

Pirmenol hydrochloride Specification

Pirmenol hydrochloride , its cas register number is 61477-94-9. It also can be called (+-)-cis-2,6-Dimethyl-alpha-phenyl-alpha-2-pyridyl-1-piperidinebutanol monohydrochloride ; 1-Piperidinebutanol, 2,6-dimethyl-alpha-phenyl-alpha-(2-
pyridyl)-, hydrochloride, Z-(+-)- ; 2-Pyridinemethanol, alpha-(3-(2,6-dimethyl-1-piperidinyl)propyl)-alpha-phenyl-, monohydrochloride, cis-, (+-)- ; CCRIS 5234 ; CI 845 ; Pirmavar ; Pirmenol HCl ; Pirmenol hydrochloride monohydrate ; UNII-JA79OMG4QT .

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