CAS No.150-59-4,Alverine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	150-59-4
Name:	Alverine
Article Data:	12

Formula:	C₂₀H₂₇N
Molecular Weight:	281.441
Synonyms:	Dipropylamine,N-ethyl-3,3'-diphenyl- (6CI,7CI,8CI);Alverine;Bis(g-phenylpropyl)ethylamine;Dipropylin;Dipropyline;Phenopropamine;Phenpropamine;Profenil;Sestron;Sestron base;
EINECS:	205-763-5
Density:	0.973 g/cm³
Melting Point:	<25 °C
Boiling Point:	358.8 °C at 760 mmHg
Flash Point:	174.4 °C
PSA:	3.24000
LogP:	4.57390

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Specification

The Alverine with the CAS number 150-59-4 is also called Benzenepropanamine,N-ethyl-N-(3-phenylpropyl)-. Both the systematic name and IUPAC name are N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine. Its molecular formula is C₂₀H₂₇N. The EINECS registry number is 205-763-5. This chemical belongs to the following classification codes: (1)Autonomic Agents; (2)Drug / Therapeutic Agent; (3)Human Data; (4)Parasympatholytics; (5)Peripheral Nervous System Agents.

The properties of the Alverine are: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 16.76; (6)ACD/BCF (pH 7.4): 158.87; (7)ACD/KOC (pH 5.5): 35.58; (8)ACD/KOC (pH 7.4): 337.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 3.24Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 91.8 cm³; (15)Molar Volume: 289.2 cm³; (16)Polarizability: 36.39×10^-24cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Enthalpy of Vaporization: 60.43 kJ/mol; (19)Vapour Pressure: 2.48×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1CCCN(CC)CCCc2ccccc2
(2)InChI: InChI=1/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
(3)InChIKey: ZPFXAOWNKLFJDN-UHFFFAOYAL

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
women	TDLo	oral	126mg/kg/5W-I (126mg/kg)	BEHAVIORAL: ANOREXIA (HUMAN LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE" LIVER: LIVER FUNCTION TESTS IMPAIRED	Journal of Hepathology. Vol. 27, Pg. 399, 1997.