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Search term: PNVNVHUZROJLTJ-KTXUZGJCEV
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Inherent Properties, Identifiers and References
ChemSpider ID: 397336
Empirical Formula: C1611CH27NO2
Molecular Weight: 276.4025
Nominal Mass: 276 Da
Average Mass: 276.4025 Da
Monoisotopic Mass: 276.215612 Da
Systematic Name: 1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILES: CN(C)CC(c1ccc(cc1)OC)C2(CCCCC2)O
InChI: InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20​-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i3-1
InChIKey: PNVNVHUZROJLTJ-KTXUZGJCEV
Std. InChI: InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(2​0-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i3-1
Std. InChIKey: PNVNVHUZROJLTJ-KTXUZGJCSA-N
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/LogP: # of Rule of 5 Violations:
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: #H bond donors:
#Freely Rotating Bonds: Polar Surface Area: 2
Index of Refraction: 1.544 Molar Refractivity: 82.63 cm3
Molar Volume: 261.6 cm3 Polarizability: 32.75 10-24cm3
Surface Tension: 41.1 dyne/cm Density: 1.06 g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C