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Search term: ZPPBASOODYCKDP-YZZSNFJZBB
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Inherent Properties, Identifiers and References
ChemSpider ID: 4514562
Empirical Formula: C19H24ClNO3
Molecular Weight: 349.8518
Nominal Mass: 349 Da
Average Mass: 349.8518 Da
Monoisotopic Mass: 349.144471 Da
Systematic Name:
SMILES: Cl.O[C@H]2\C=C/[C@H]5[C@@H]4N(CC[C@@]51c3c(O[C@H]12)c(OCC)ccc3C4)​C
InChI: InChI=1/C19H23NO3.ClH/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(​12,8-9-20(13)2)16(11)17(15)23-18;/h4-7,12-14,18,21H,3,8-10H2,1-2H​3;1H/t12-,13+,14-,18-,19-;/m0./s1
InChIKey: ZPPBASOODYCKDP-YZZSNFJZBB
Std. InChI: InChI=1S/C19H23NO3.ClH/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19​(12,8-9-20(13)2)16(11)17(15)23-18;/h4-7,12-14,18,21H,3,8-10H2,1-2​H3;1H/t12-,13+,14-,18-,19-;/m0./s1
Std. InChIKey: ZPPBASOODYCKDP-YZZSNFJZSA-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

(5alpha,6​alpha)-3-​ethoxy-17​-methyl-7​,8-didehy​dro-4,5-e​poxymorph​inan-6-ol​ hydrochl​oride (1:​1)

Codethyli​ne hydroc​hloride

Dionin hy​drochlori​de

Ethylmorp​hine hydr​ochloride​ [JAN]

Morphinan​-6-alpha-​ol, 7,8-d​idehydro-​4,5-alpha​-epoxy-3-​ethoxy-17​-methyl-,​ hydrochl​oride

morphinan​-6-ol, 7,​8-didehyd​ro-4,5-ep​oxy-3-eth​oxy-17-me​thyl-, (5​alpha,6al​pha)-, hy​drochlori​de (1:1)

125-30-4 [RN]

3-O-ethyl​morphine ​hydrochlo​ride

Dionine h​ydrochlor​ide

ethylmorp​hine hydr​ochloride

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Database ID(s)

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

(Details...) ACD/Labs Predicted Properties
ACD/LogP: 1.73 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.88 ACD/LogD (pH 7.4): 0.8
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1.42
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 24.23
#H bond acceptors: 4 #H bond donors: 1
#Freely Rotating Bonds: 3 Polar Surface Area: 30.93 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 239.4 °C Enthalpy of Vaporization: 77.44 kJ/mol
Boiling Point: 472.2 °C at 760 mmHg Vapour Pressure: 1.01E-09 mmHg at 25°C