Compound: 1,3-diaminopropane
SMILES: NCCCN
InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N
Synonyms: 1,3-diaminopropane, 1,3-Propanediamine, 109-76-2, Trimethylenediamine, 1,3-Propylenediamine, 3-Aminopropylamine, alpha,omega-Propanediamine, CB3ISL56KG, 1,3-diaminepropane, NSC-8154, DTXSID1021906, CHEBI:15725, RefChem:72575, DTXCID301906, 203-702-7, 611-082-8, Propane-1,3-diamine, MFCD00008228, 1,3-PROPANEDIAMINE-1,1,3,3-D4, BRN 0605277, AI3-25358, H2N(CH2)3NH2, PROPANE, 1,3-DIAMINO-, C00986, Propane-1,3-diammonium bromide, 1,3-diaminopropan, CCRIS 4054, 1,3-propane diamine, NSC 8154, EINECS 203-702-7, UNII-CB3ISL56KG, aminopropylamine, 1,3diaminopropane, a,w-Propanediamine, 1,3-propandiamine, 1,3 diaminopropane, 1.3-diaminopropane, 1,3 -diaminopropane, 1,3-diamino propane, 1,3-diamino-propane, 1, 3-Diaminopropane, 1,3-Propane-diamine, Spectrum_001150, SpecPlus_000418, 1,3-Trimethylenediamine, 1,3-Diamino-n-propane, Spectrum4_001903, Spectrum5_000586, bmse000001, bmse000796, bmse000872, EC 203-702-7, SCHEMBL8182, WLN: Z3Z, SCHEMBL94135, KBioGR_002492, KBioSS_001630, 4-04-00-01258 (Beilstein Handbook Reference), DivK1c_006514, SCHEMBL359767, DIAMINOPROPANE, 1,3-, CHEMBL174324, SCHEMBL2067695, SCHEMBL4390319, SCHEMBL4923378, SCHEMBL5058095, SCHEMBL8098823, SCHEMBL8737278, 1,3-Diaminopropane, >=99%, SCHEMBL10784550, SCHEMBL11520959, CHEBI:35411, KBio1_001458, KBio2_001630, KBio2_004198, KBio2_006766, NSC8154, STR02314, XNA84013, BBL027701, MSK002131, STL194260, AKOS000119455, .ALPHA.,.OMEGA.-PROPANEDIAMINE, EBC-443050, FD53866, RP10060, NCGC00178092-01, BP-21144, BP-26277, HY-42210, PD099153, 1,3-Diaminopropane Dihydrobromide, >/=98%, 1,3-Propane-1,1,3,3-d4-diamine(9CI), CS-0020848, D0114, NS00001874, EN300-20409, F094590, InChI=1/C3H10N2/c4-2-1-3-5/h1-5H, Q161498, B4A724BF-48DB-479D-B403-B44C7C956D5B, F2191-0286, Z104478068, 1,3-PROPANEDIAMINE-1,1,3,3-D4;1,3-PROPANE-1,1,3,3-D4-DIAMINE 2HCL, 54018-94-9, 62704-76-1
Theoretical properties:
molecular_formula: C3H10N2
molecular_weight: 74.13 g/mol
exact_mass: 74.084398327 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 5
topological_polar_surface_area: 52 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 275.9 °F at 738 mmHg (NTP, 1992)
melting_point: 10 °F (NTP, 1992)
density: 0.881 at 68 °F (NTP, 1992) - Less dense than water; will float
solubility: Soluble (NTP, 1992)
flash_point: 75 °F (NTP, 1992)
vapor_pressure: 11.5 [mmHg]
Descriptions:
pubchem: Trimethylenediamine is an alkane-alpha,-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. It has a role as a reagent, a mouse metabolite and a human metabolite. It is a conjugate base of a trimethylenediaminium.
chebi: An alkane-α,ω-diamine comprising a propane skeleton with amino substituents at positions 1 and 3.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1,3-Diaminopropane, also known as trimethylenediamine, is a simple diamine with the formula H2N(CH2)3NH2. A colourless liquid with a fishy odor, it is soluble in water and many polar organic solvents. It is isomeric with 1,2-diaminopropane.  Both are building blocks in the synthesis of heterocycles, such as those used in textile finishing, and coordination complexes. It is prepared by the amination of acrylonitrile followed by hydrogenation of the resulting aminopropionitrile.
The potassium salt was used in the alkyne zipper reaction.
Known uses of 1,3-diaminopropane are in the synthesis of piroxantrone and losoxantrone.