1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-OCTANE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hemiaminals. These are compounds comprising the hemiaminal functional group, with the general formula R2C(OH)NR2 where R can by a hydrogen or an alkyl group.

Hemiaminals

Organic compounds

Organonitrogen compounds

Amines

Alkanolamines

Calculated Property

kind Value Source
logP 0.96 ALOGPS
logS -1.5 ALOGPS
Water Solubility 6.03e+00 g/l ALOGPS
logP 0.89 ChemAxon
IUPAC Name 8-[(hydroxymethyl)amino]octan-1-ol ChemAxon
Traditional IUPAC Name 8-[(hydroxymethyl)amino]octan-1-ol ChemAxon
Molecular Weight 175.2685 ChemAxon
Monoisotopic Weight 175.157228921 ChemAxon
SMILES OCCCCCCCCNCO ChemAxon
Molecular Formula C9H21NO2 ChemAxon
InChI InChI=1S/C9H21NO2/c11-8-6-4-2-1-3-5-7-10-9-12/h10-12H,1-9H2 ChemAxon
InChIKey InChIKey=SJEVZMRZAJQYFZ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 52.49 ChemAxon
Refractivity 50 ChemAxon
Polarizability 22.08 ChemAxon
Rotatable Bond Count 9 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 14.6 ChemAxon
pKa (strongest basic) 9.5 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Prothrombin : in Human