CAS No.511-45-5,pridinol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	511-45-5
Name:	pridinol
Article Data:	9

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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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