Inherent Properties, Identifiers and References
ChemSpider ID: 59529
Empirical Formula: C30H50Cl2N2O2
Molecular Weight: 541.6362
Nominal Mass: 540 Da
Average Mass: 541.6362 Da
Monoisotopic Mass: 540.324934 Da
Quick Links: Permalink Similar Isomers
Systematic Name: 2-[4-[2-[4-(2-diethylaminoethoxy)phenyl]-1-ethyl-butyl]phenoxy]-N​,N-diethyl-ethanamine dihydrochloride
SMILES: Cl.Cl.O(c1ccc(cc1)C(CC)C(c2ccc(OCCN(CC)CC)cc2)CC)CCN(CC)CC
InChI: InChI=1/C30H48N2O2.2ClH/c1-7-29(25-13-17-27(18-14-25)33-23-21-31(​9-3)10-4)30(8-2)26-15-19-28(20-16-26)34-24-22-32(11-5)12-6;;/h13-​20,29-30H,7-12,21-24H2,1-6H3;2*1H
InChIKey: SIZRPIFUDMQNNJ-UHFFFAOYAF
(Details...) Original Reference(s)
Data Source External ID(s)
Molbank Molbank 2006 Page M511
Disclaimer (Details...) Supplemental Information
(Details...) Names and Synonyms

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

Hexestrol​ bis(beta​-diethyla​minoethyl​ ether) d​ihydrochl​oride

2,2'''-((​1,2-Dieth​ylethylen​e)bis(p-p​henyleneo​xy))bistr​iethylami​ne dihydr​ochloride

2,2'-[hex​ane-3,4-d​iylbis(be​nzene-4,1​-diyloxy)​]bis(N,N-​diethylet​hanaminiu​m) dichlo​ride

4,4'-Diet​hylamino-​ethoxy-al​pha,beta-​diethyldi​phenyleth​ane dichl​orhydrate [French]

4,4'-Diet​hylaminoe​thoxyhexe​strol dih​ydrochlor​ide

4,4'Dieti​laminoeto​ssi-alpha​,beta-die​tildifeni​letano bi​cloridrato [Italian]

Diaethiph​enum

Diethylph​en

Ethanamin​e, 2,2'-(​(1,2-diet​hyl-1,2-e​thanediyl​)bis(4,1-​phenylene​oxy))bis(​N,N-dieth​yl-, dihy​drochlori​de

ethanamin​e, 2,2'-[​(1,2-diet​hyl-1,2-e​thanediyl​)bis(4,1-​phenylene​oxy)]bis[​N,N-dieth​yl-, hydr​ochloride​ (1:2)

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(Details...) Predicted Properties
LogP: ACD/LogP: 8.13
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 4.03 ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 5.5): 70.36 ACD/BCF (pH 7.4): 107.7
ACD/KOC (pH 5.5): 49.98 ACD/KOC (pH 7.4): 76.52
#H bond acceptors: 4 #H bond donors: 0
#Freely Rotating Bonds: 17 Polar Surface Area: 24.94 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 133.9 °C Enthalpy of Vaporization: 83.04 kJ/mol
Boiling Point: 550.3 °C at 760 mmHg Vapour Pressure: 3.69E-12 mmHg at 25°C