Common NamePropane-1,3-diamine
Description1,3-Diaminopropane, also known as DAP or trimethylenediamine, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing a primary aliphatic amine group. 1,3-Diaminopropane is a stable, flammable, and highly hygroscopic fluid. It is a polyamine that is normally quite toxic if swallowed, inhaled, or absorbed through the skin. It is a catabolic byproduct of spermidine. It is also a precursor in the enzymatic synthesis of beta-alanine. 1,3-Diaminopropane is involved in the arginine/proline metabolic pathways and the beta-alanine metabolic pathway. 1,3-Diaminopropane has been detected, but not quantified in, several different foods, such as cassava, shiitakes, oyster mushrooms, muscadine grapes, and cinnamons. This could make 1,3-diaminopropane a potential biomarker for the consumption of these foods.
Structure
Molecular FormulaC3H10N2
Average Mass74.12490
Monoisotopic Mass74.08440
IUPAC Namepropane-1,3-diamine
Traditional Name1,3-diaminopropane
CAS Registry Number109-76-2
SMILES[NH3+]CCC[NH3+]
InChI IdentifierInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChI KeyXFNJVJPLKCPIBV-UHFFFAOYSA-N
CHEBI IDCHEBI:57484
HMDB IDHMDB0000002
Pathways
NameSMPDB/PathBank
beta-Alanine metabolism
GABA-Transaminase Deficiency
Ureidopropionase Deficiency
Carnosinuria, carnosinemia
StateLiquid
Water Solubility4.37e+02 g/l
logP-1.41
logS0.77
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)10.47
Hydrogen Acceptor Count2
Hydrogen Donor Count2
Polar Surface Area52.04 Ų
Rotatable Bond Count2
Physiological Charge2
Formal Charge0
Refractivity22.73 m³·mol⁻¹
Polarizability9.06

We require the use of cookies for essential features like storing your previously submitted BASys2 queries. Rejecting the usage of cookies will result in certain features being disabled. By clicking ACCEPT or continuing to use the website you are agreeing to our use of cookies.

ACCEPT