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Search term: IHDKBVNCCFEVGM-UHFFFAOYAW
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Inherent Properties, Identifiers and References
ChemSpider ID: 174789
Empirical Formula: C13H20ClNO2
Molecular Weight: 257.7564
Nominal Mass: 257 Da
Average Mass: 257.7564 Da
Monoisotopic Mass: 257.118257 Da
Systematic Name: 3-morpholino-2-phenyl-propan-1-ol hydrochloride
SMILES: Cl.OCC(c1ccccc1)CN2CCOCC2
InChI: InChI=1/C13H19NO2.ClH/c15-11-13(12-4-2-1-3-5-12)10-14-6-8-16-9-7-​14;/h1-5,13,15H,6-11H2;1H
InChIKey: IHDKBVNCCFEVGM-UHFFFAOYAW
Std. InChI: InChI=1S/C13H19NO2.ClH/c15-11-13(12-4-2-1-3-5-12)10-14-6-8-16-9-7​-14;/h1-5,13,15H,6-11H2;1H
Std. InChIKey: IHDKBVNCCFEVGM-UHFFFAOYSA-N
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4-Morphol​inepropan​ol, beta-​phenyl-, ​hydrochlo​ride

7029-80-3 [RN]

beta-Phen​yl-4-morp​holinepro​panol hyd​rochloride

ACD/LogP: 0.19 # 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: 3 #H bond donors: 1
#Freely Rotating Bonds: 5 Polar Surface Area: 21.7 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 170.8 °C Enthalpy of Vaporization: 63.77 kJ/mol
Boiling Point: 358.8 °C at 760 mmHg Vapour Pressure: 8.98E-06 mmHg at 25°C