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Inherent Properties, Identifiers and References
ChemSpider ID: 13883539
Empirical Formula: C6H13NO2
Molecular Weight: 131.1729
Nominal Mass: 131 Da
Average Mass: 131.1729 Da
Monoisotopic Mass: 131.094629 Da
Systematic Name: 6-aminohexanoic acid
SMILES: NCCCCCC(O)=O
InChI:
InChIKey: -
Std. InChI:
Std. InChIKey: -
(Details...) Predicted Properties
LogP: # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 3 #H bond donors: 3
#Freely Rotating Bonds: 6 Polar Surface Area: 63.32 Å2
Index of Refraction: 1.467 Molar Refractivity: 34.94 cm3
Molar Volume: 125.8 cm3 Polarizability: 13.85 10-24cm3
Surface Tension: 42.6 dyne/cm Density: 1.042 g/cm3
Flash Point: 108.4 °C Enthalpy of Vaporization: 54.29 kJ/mol
Boiling Point: 255.6 °C at 760 mmHg Vapour Pressure: 0.00495 mmHg at 25°C