CAS No.2156-27-6,BENPROPERINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2156-27-6
Name:	BENPROPERINE
Article Data:	3

Formula:	C₂₁H₂₇NO
Molecular Weight:	309.451
Synonyms:	Piperidine,1-[1-methyl-2-[(a-phenyl-o-tolyl)oxy]ethyl]-(7CI,8CI);1-[2-(2-Benzylphenoxy)-1-methylethyl]piperidine;1-[1-(2-Benzylphenoxy)propan-2-yl]piperidine;1-[1-Methyl-2-[(a-phenyl-o-tolyl)oxy]ethyl]piperidine;1-[1-Methyl-2-[2-(phenylmethyl)phenoxy]ethyl]piperidine;Benproperinum;Bemproperina;
EINECS:	1308068-626-2
Density:	1.04 g/cm³
Boiling Point:	433 °C at 760 mmHg
Flash Point:	126.8 °C
PSA:	12.47000
LogP:	4.46850

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Specification

The CAS registry number of Benproperine is 2156-27-6. The IUPAC name is 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine. In addition, the molecular formula is C₂₁H₂₇NO and the molecular weight is 309.45. It is also called 1-[1-methyl-2-[(a-phenyl-o-tolyl)oxy]ethyl]piperidine. What's more, it is a cough suppressant and belongs to the class of Drug/Therapeutic Agent. It should be stored in sealed container, and put them in a cool and dry place.

Physical properties about Benproperine are: (1)ACD/LogP: 5.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 8.27; (6)ACD/BCF (pH 7.4): 121.11; (7)ACD/KOC (pH 5.5): 21.93; (8)ACD/KOC (pH 7.4): 321.37; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 12.47 Å²; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 96.05 cm³; (14)Molar Volume: 297.4 cm³; (15)Polarizability: 38.07 ×10^-24cm³; (16)Surface Tension: 40.7 dyne/cm; (17)Density: 1.04 g/cm³; (18)Flash Point: 126.8 °C; (19)Enthalpy of Vaporization: 68.89 kJ/mol; (20)Boiling Point: 433 °C at 760 mmHg; (21)Vapour Pressure: 1.06E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1Cc2ccccc2)CC(N3CCCCC3)C
(2)InChI: InChI=1/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3
(3)InChIKey: JTUQXGZRVLWBCR-UHFFFAOYAA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1087mg/kg (1087mg/kg)		Bollettino Chimico Farmaceutico. Vol. 109, Pg. 476, 1970.