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CAS No.: | 102376-35-2 |
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Name: | 1-(2-(Dicyclohexylmethoxy)ethyl)piperidine hydrochloride |
Molecular Structure: | |
Formula: | C20H38ClNO |
Molecular Weight: | 343.974820 |
Synonyms: | Piperidine,1-[2-(dicyclohexylmethoxy)ethyl]-,hydrochloride (6CI); |
Boiling Point: | 402 °C at 760 mmHg |
Flash Point: | 118.2 °C |
PSA: | 12.47000 |
LogP: | 5.75800 |
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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) | Effect | 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. |