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| CAS No.: | 511-45-5 |
|---|---|
| Name: | pridinol |
| Molecular Structure: | |
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| Formula: | C20H25NO |
| Molecular Weight: | 295.425 |
| Synonyms: | 3-Piperidino-1,1-diphenyl-1-propanol;1,1-Diphenyl-3-(piperidin-1-yl)propan-1-ol;a,a-Diphenyl-1-piperidinepropanol;Benzhydrol, a-(2-piperidinoethyl)-; |
| EINECS: | 208-128-0 |
| Density: | 1.079 g/cm3 |
| Melting Point: | 120-121° |
| Boiling Point: | 460.9 °C at 760 mmHg |
| Flash Point: | 229.9 °C |
| PSA: | 23.47000 |
| LogP: | 3.73640 |
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- Total:31 Page 1 of 1 1
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Specification
The 1-Piperidinepropanol, a,a-diphenyl-, with the CAS registry number 511-45-5, is also known as 3-Piperidino-1,1-diphenyl-1-propanol. Its EINECS number is 208-128-0. The molecular formula of this chemical is C20H25NO and molecular weight is 295.42. What's more, its systematic name is 1,1-Diphenyl-3-(piperidin-1-yl)propan-1-ol. Its classification code is Drug/Therapeutic Agent. It belongs to antispasmodic & muscle relaxant.
Physical properties of 1-Piperidinepropanol, a,a-diphenyl- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.97; (7)ACD/KOC (pH 5.5): 2.53; (8)ACD/KOC (pH 7.4): 17.79; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 90.57 cm3; (15)Molar Volume: 273.7 cm3; (16)Polarizability: 35.9×10-24 cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.079 g/cm3; (19)Flash Point: 229.9 °C; (20)Enthalpy of Vaporization: 76.04 kJ/mol; (21)Boiling Point: 460.9 °C at 760 mmHg; (22)Vapour Pressure: 2.71E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O
(2)InChI: InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2
(3)InChIKey: RQXCLMGKHJWMOA-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Chimica Therapeutica. Vol. 1, Pg. 212, 1966. |
| mouse | LD50 | subcutaneous | 193mg/kg (193mg/kg) | BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Farmakologiya i Toksikologiya Vol. 23, Pg. 8, 1960. Link to PubMed |