Piperidine,1-[2-(dicyclohexylmethoxy)ethyl]-,hydrochloride (1:1) supplier

Name
1-(2-(Dicyclohexylmethoxy)ethyl)piperidine hydrochloride
EINECS
CAS No. 102376-35-2
Density
Solubility
Melting Point
Formula C₂₀H₃₈ClNO
Boiling Point 402 °C at 760 mmHg
Molecular Weight 343.974820
Flash Point 118.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperidine,1-[2-(dicyclohexylmethoxy)ethyl]-,hydrochloride (6CI);
PSA 12.47000
LogP 5.75800

Piperidine,1-[2-(dicyclohexylmethoxy)ethyl]-,hydrochloride (1:1) Specification

The Piperidine, 1-[2-(dicyclohexylmethoxy)ethyl]-, hydrochloride (1:1) has the CAS registry number 102376-35-2. This chemical's molecular formula is C₂₀H₃₈ClNO and molecular weight is 343.974820. What's more, its IUPAC name is 1-[2-(Dicyclohexylmethoxy)ethyl]piperidine hydrochloride. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about Piperidine, 1-[2-(dicyclohexylmethoxy)ethyl]-, hydrochloride (1:1) are: (1)ACD/LogP: 6.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 4.5; (5)ACD/BCF (pH 5.5): 27.13; (6)ACD/BCF (pH 7.4): 644.75; (7)ACD/KOC (pH 5.5): 53.74; (8)ACD/KOC (pH 7.4): 1277.21; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å²; (13)Flash Point: 118.2 °C; (14)Enthalpy of Vaporization: 65.3 kJ/mol; (15)Boiling Point: 402 °C at 760 mmHg; (16)Vapour Pressure: 1.14E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O(CCN1CCCCC1)C(C2CCCCC2)C3CCCCC3
(2) InChI: InChI=1/C20H37NO.ClH/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)22-17-16-21-14-8-3-9-15-21;/h18-20H,1-17H2;1H
(3) InChIKey: VDIBCUIBCDQVHM-UHFFFAOYAW

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LDLo	intraperitoneal	130mg/kg (130mg/kg)	Anesthesie, Analgesie, Reanimation. Vol. 15, Pg. 451, 1958.
mouse	LDLo	intravenous	20mg/kg (20mg/kg)	Anesthesie, Analgesie, Reanimation. Vol. 15, Pg. 451, 1958.
rat	LDLo	intraperitoneal	160mg/kg (160mg/kg)	Anesthesie, Analgesie, Reanimation. Vol. 15, Pg. 451, 1958.

Product Name

1-(2-(Dicyclohexylmethoxy)ethyl)piperidine hydrochloride

Piperidine,1-[2-(dicyclohexylmethoxy)ethyl]-,hydrochloride (1:1) Specification

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