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Search term: OXJRPIUEFMWVOI-UHFFFAOYAH
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Inherent Properties, Identifiers and References
ChemSpider ID: 171896
Empirical Formula: C18H20ClNO3
Molecular Weight: 333.8093
Nominal Mass: 333 Da
Average Mass: 333.8093 Da
Monoisotopic Mass: 333.113171 Da
Systematic Name: 2-dimethylaminoethyl 6H-benzo[c]chromene-6-carboxylate hydrochlor​ide
SMILES: Cl.O=C(OCCN(C)C)C3Oc1ccccc1c2c3cccc2
InChI: InChI=1/C18H19NO3.ClH/c1-19(2)11-12-21-18(20)17-15-9-4-3-7-13(15)​14-8-5-6-10-16(14)22-17;/h3-10,17H,11-12H2,1-2H3;1H
InChIKey: OXJRPIUEFMWVOI-UHFFFAOYAH
Std. InChI: InChI=1S/C18H19NO3.ClH/c1-19(2)11-12-21-18(20)17-15-9-4-3-7-13(15​)14-8-5-6-10-16(14)22-17;/h3-10,17H,11-12H2,1-2H3;1H
Std. InChIKey: OXJRPIUEFMWVOI-UHFFFAOYSA-N
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Names and Synonyms

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6H-Dibenz​o[b,d]pyr​an-6-carb​oxylic ac​id, 2-(di​methylami​no)ethyl ​ester, hy​drochlori​de

6-(2-Dime​thylamino​ethoxycar​bonyl)-6H​-dibenzo(​b,d)pyran​ hydrochl​oride

6H-Dibenz​o(b,d)pyr​an-6-carb​oxylic ac​id, 2-(di​methylami​no)ethyl ​ester, hy​drochlori​de

83359-86-8 [RN]

Database ID(s)

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ACD/LogP: 3.41 # of Rule of 5 Violations: 0
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: 4 #H bond donors: 0
#Freely Rotating Bonds: 5 Polar Surface Area: 38.77 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 227.5 °C Enthalpy of Vaporization: 71.18 kJ/mol
Boiling Point: 452.6 °C at 760 mmHg Vapour Pressure: 2.22E-08 mmHg at 25°C