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Search term: NUUWLPFVUMTWGZ-UHFFFAOYAI
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Inherent Properties, Identifiers and References
ChemSpider ID: 171524
Empirical Formula: C19H20Cl3NOS
Molecular Weight: 416.7922
Nominal Mass: 415 Da
Average Mass: 416.7922 Da
Monoisotopic Mass: 415.033117 Da
Systematic Name: 1-(6,8-dichlorobenzo[e]benzothiophen-4-yl)-2-(1-piperidyl)ethanol​ hydrochloride
SMILES: Cl.Clc1cc3c(c(Cl)c1)cc(c2sccc23)C(O)CN4CCCCC4
InChI: InChI=1/C19H19Cl2NOS.ClH/c20-12-8-14-13-4-7-24-19(13)16(10-15(14)​17(21)9-12)18(23)11-22-5-2-1-3-6-22;/h4,7-10,18,23H,1-3,5-6,11H2;​1H
InChIKey: NUUWLPFVUMTWGZ-UHFFFAOYAI
Std. InChI: InChI=1S/C19H19Cl2NOS.ClH/c20-12-8-14-13-4-7-24-19(13)16(10-15(14​)17(21)9-12)18(23)11-22-5-2-1-3-6-22;/h4,7-10,18,23H,1-3,5-6,11H2​;1H
Std. InChIKey: NUUWLPFVUMTWGZ-UHFFFAOYSA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1-Piperid​ineethano​l, alpha-​(6,8-dich​loronapht​ho(2,1-b)​thien-4-y​l)-, hydr​ochloride

37094-64-7 [RN]

alpha-(6,​8-Dichlor​onaphtho(​2,1-b)thi​en-4-yl)-​1-piperid​ineethano​l hydroch​loride

Naphtho(2​,1-b)thio​phene-4-m​ethanol, ​6,8-dichl​oro-alpha​-(piperid​inomethyl​)-, hydro​chloride

ACD/LogP: 7.25 # of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 2 #H bond donors: 1
#Freely Rotating Bonds: 4 Polar Surface Area: 40.71 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 292.3 °C Enthalpy of Vaporization: 88.61 kJ/mol
Boiling Point: 559.8 °C at 760 mmHg Vapour Pressure: 2.29E-13 mmHg at 25°C