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14176-50-2

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Basic Information
CAS No.: 14176-50-2
Name: Cyclohexanone,2-(ethylamino)-2-(2-thienyl)-, hydrochloride (1:1)
Molecular Structure:
Molecular Structure of 14176-50-2 (Cyclohexanone,2-(ethylamino)-2-(2-thienyl)-, hydrochloride (1:1))
Formula: C12H18ClNOS
Molecular Weight: 259.79542
Synonyms: Cyclohexanone,2-(ethylamino)-2-(2-thienyl)-, hydrochloride (8CI,9CI);2-(Ethylamino)-2-(2-thienyl)cyclohexanonehydrochloride;CI 634;CL 399;CN 54521-2;NSC 167740;Tiletamin hydrochloride;Tiletamine hydrochloride;
EINECS: 604-248-6
Density:
Melting Point:
Boiling Point: 352.6 °C at 760 mmHg
Flash Point: 167.1 °C
Solubility:
Appearance: white powder
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 57.34000
LogP: 3.88890
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Specification

The IUPAC name of Tiletamine hydrochloride is 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one hydrochloride. With the CAS registry number 14176-50-2, it is also named as Cyclohexanone, 2-(ethylamino)-2-(2-thienyl)-, hydrochloride. The classification codes are Anesthetic; Anticonvulsant. Additionally, it is white powder which is proposed anesthetic with possible anticonvulsant and sedative properties.

The other characteristics of Tiletamine hydrochloride can be summarized as: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 10.99; (7)ACD/KOC (pH 5.5): 11.47; (8)ACD/KOC (pH 7.4): 182.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Enthalpy of Vaporization: 59.75 kJ/mol; (13)Boiling Point: 352.6 °C at 760 mmHg; (14)Vapour Pressure: 3.79E-05 mmHg at 25°C; (15)Rotatable Bond Count: 3; (16)Tautomer Count: 2; (17)Exact Mass: 259.079763; (18)MonoIsotopic Mass: 259.079763; (19)Topological Polar Surface Area: 57.3; (20)Heavy Atom Count: 16; (21)Complexity: 244.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C2C(c1sccc1)(NCC)CCCC2
2. InChI:InChI=1/C12H17NOS.ClH/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h5,7,9,13H,2-4,6,8H2,1H3;1H.