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Search term: PKGHCNULESHLRD-JVVVGQRLET
Found by InChIKey (full match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 396807
Empirical Formula: C1311CH23NO
Molecular Weight: 220.3393
Nominal Mass: 220 Da
Average Mass: 220.3393 Da
Monoisotopic Mass: 220.189397 Da
Systematic Name: 2-(1,1-dimethylethyl-methyl-amino)-1-phenyl-propan-1-ol
SMILES: CC(C(c1ccccc1)O)N(C)C(C)(C)C
InChI: InChI=1/C14H23NO/c1-11(15(5)14(2,3)4)13(16)12-9-7-6-8-10-12/h6-11​,13,16H,1-5H3/i2-1
InChIKey: PKGHCNULESHLRD-JVVVGQRLET
Std. InChI: InChI=1S/C14H23NO/c1-11(15(5)14(2,3)4)13(16)12-9-7-6-8-10-12/h6-1​1,13,16H,1-5H3/i2-1
Std. InChIKey: PKGHCNULESHLRD-JVVVGQRLSA-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: 1.517 Molar Refractivity: 68.78 cm3
Molar Volume: 227.2 cm3 Polarizability: 27.26 10-24cm3
Surface Tension: 35.8 dyne/cm Density: 0.974 g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C