This record is deprecated and may be removed soon.

2D

3D

Save

Zoom

6-Aminohexanoic acid

ChemSpider ID: 13883539
Molecular Formula: C₆H₁₃NO₂
Monoisotopic mass: 131.094635 Da
Systematic name

6-Aminohexanoic acid
SMILES and InChIs

SMILES:

NCCCCCC(O)=O Copied

Std. InChI:

InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) Copied

Std. InChIKey:

SLXKOJJOQWFEFD-UHFFFAOYSA-N Copied

ChemSpider Searches

Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	-0.111	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-2.65	ACD/LogD (pH 7.4):	-2.61
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.00	ACD/KOC (pH 7.4):	1.00
#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:	34.946 cm³
Molar Volume:	125.879 cm³	Polarizability:	13.854 10^-24cm³
Surface Tension:	42.6520004272461 dyne/cm	Density:	1.042 g/cm³
Flash Point:	108.409 °C	Enthalpy of Vaporization:	54.293 kJ/mol
Boiling Point:	255.642 °C at 760 mmHg	Vapour Pressure:	0.00499999988824129 mmHg at 25°C

Click to predict properties on the Chemicalize site

Spectra

CIFs

Patents

Pharmacological Links

Feedback Form