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Search term: BRHWDUPLRLPVDQ-UHFFFAOYAY
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Inherent Properties, Identifiers and References
ChemSpider ID: 57764
Empirical Formula: C14H26ClNO2
Molecular Weight: 275.8147
Nominal Mass: 275 Da
Average Mass: 275.8147 Da
Monoisotopic Mass: 275.165207 Da
Systematic Name: 2-(1-adamantyl-(2-hydroxyethyl)amino)ethanol hydrochloride
SMILES: Cl.OCCN(CCO)C13CC2CC(CC(C1)C2)C3
InChI: InChI=1/C14H25NO2.ClH/c16-3-1-15(2-4-17)14-8-11-5-12(9-14)7-13(6-​11)10-14;/h11-13,16-17H,1-10H2;1H
InChIKey: BRHWDUPLRLPVDQ-UHFFFAOYAY
Std. InChI: InChI=1S/C14H25NO2.ClH/c16-3-1-15(2-4-17)14-8-11-5-12(9-14)7-13(6​-11)10-14;/h11-13,16-17H,1-10H2;1H
Std. InChIKey: BRHWDUPLRLPVDQ-UHFFFAOYSA-N
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23479-45-0 [RN]

Bis(2-hyd​roxyethyl​)aminoada​mantane h​ydrochlor​ide

Ethanol, ​2,2'-(1-a​damantyli​mino)di-,​ hydrochl​oride

Thanol, 2​,2'-(1-ad​amantylim​ino)di-, ​HCl

ACD/LogP: 2.17 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.73 ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 13.61
#H bond acceptors: 3 #H bond donors: 2
#Freely Rotating Bonds: 7 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: 206.3 °C Enthalpy of Vaporization: 75.33 kJ/mol
Boiling Point: 400.8 °C at 760 mmHg Vapour Pressure: 4.32E-08 mmHg at 25°C