1,3-Diaminopropane
Properties
- Molecular formula
- C3H10N2
- Molar mass
- 74.13 g/mol
- Exact mass
- 74.0844 Da
- Density
- 0.8834 g/mL (at 20 °C)
- Melting point
- 54–55 °C
- Boiling point
- 139.8 °C
- Flash point
- 23.9 °C
- Water solubility
- soluble
- logP
- -0.71Crippen estimate
- Polar surface area
- 52.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor99.6% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H310 Fatal in contact with skin99.6% of notifiers
- H314 Causes severe skin burns and eye damage99.6% of notifiers
- H317 May cause an allergic skin reaction80.5% of notifiers
- H318 Causes serious eye damage80.9% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled80.5% of notifiers
Aggregated from 251 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P235, P405, P501
Identifiers
CAS number
109-76-2SMILES
NCCCNInChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-NInChI
InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 1,3-Propanediamine
- 1,3-Propylenediamine
- Trimethylenediamine
- 1,3-Trimethylenediamine
- DAP
- 3-Aminopropylamine
- 1,3-Diamino-n-propane
- α,ω-Propanediamine
- NSC 8154
Work with 1,3-Diaminopropane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Putrescine110-60-178 % similar
Hexamethylenediamine124-09-470 % similar
1,12-Dodecanediamine2783-17-770 % similar
Octamethylenediamine373-44-470 % similar
Cadaverine462-94-270 % similar
1,7-Heptanediamine646-19-570 % similar
1,9-Nonanediamine646-24-270 % similar
1,10-Decanediamine646-25-370 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.