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Caramiphen

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Name

Caramiphen

EINECS 201-013-6
CAS No. 77-22-5 Density 1.038 g/cm3
PSA 29.54000 LogP 3.38340
Solubility N/A Melting Point N/A
Formula C18H27NO2 Boiling Point 392.1 °C at 760 mmHg
Molecular Weight 289.418 Flash Point 124.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 77-22-5 (caramiphen) Hazard Symbols N/A
Synonyms

Caramiphen(6CI);Parpanil;2-(Diethylamino)ethyl 1-phenylcyclopentanecarboxylate;Diethylaminoethyl 1-Phenylcyclopentane-1-carboxylate;1-Phenylcyclopentanecarboxylic acid 2-(diethylamino)ethyl ester;

Article Data 12

Caramiphen Specification

The CAS registry number of Cyclopentanecarboxylicacid, 1-phenyl-, 2-(diethylamino)ethyl ester is 77-22-5. In addition, the molecular formula is C18H27NO2. The IUPAC name is 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Cyclopentanecarboxylicacid, 1-phenyl-, 2-(diethylamino)ethyl ester are: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 1.23; (6)ACD/BCF (pH 7.4): 19.03; (7)ACD/KOC (pH 5.5): 5.62; (8)ACD/KOC (pH 7.4): 87.14; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 85.24 cm3; (15)Molar Volume: 278.7 cm3; (16)Polarizability: 33.79×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.038 g/cm3; (19)Flash Point: 124.8 °C; (20)Enthalpy of Vaporization: 64.18 kJ/mol; (21)Boiling Point: 392.1 °C at 760 mmHg; (22)Vapour Pressure: 2.35E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCN(CC)CC)C2(c1ccccc1)CCCC2
(2)InChI: InChI=1/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
(3)InChIKey: OFAIGZWCDGNZGT-UHFFFAOYAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 365mg/kg (365mg/kg)   Helvetica Physiologia et Pharmacologica Acta. Vol. 16, Pg. 277, 1958.
mouse LD50 intravenous 67mg/kg (67mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Schweizerische Medizinische Wochenschrift. Vol. 76, Pg. 1282, 1946.
mouse LD50 oral 180mg/kg (180mg/kg)   Bollettino Chimico Farmaceutico. Vol. 111, Pg. 293, 1972.
mouse LD50 subcutaneous 570mg/kg (570mg/kg)   Helvetica Physiologia et Pharmacologica Acta. Vol. 16, Pg. 277, 1958.
rat LDLo intravenous 80mg/kg (80mg/kg)   Acta Physiologica et Pharmacologica Neerlandica. Vol. 1, Pg. 4, 1950.

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