1,2-Propanediamine,conjugate diacid (9CI) (62063-19-8)

The systematic name of 1,2-Propanediamine dihydrochloride is propane-1,2-diamine dihydrochloride. With the CAS registry number 62063-19-8, it is also named as (S)-(-)-Diaminopropane dihydrochloride. In addition, its molecular formula is C₃H₁₂Cl₂N₂ and its molecular weight is 147.05.

The other characteristics of 1,2-Propanediamine dihydrochloride can be summarized as: (1)ACD/LogP: -1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.63; (4)ACD/LogD (pH 7.4): -4.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 2; (10)H bond donors: 4; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å²; (13)Nominal mass: 146; (14)Average mass: 147.0468; (15)Monoisotopic mass: 146.037754; (16)Flash Point: 33.3 °C; (17)Enthalpy of Vaporization: 35.56 kJ/mol; (18)Boiling Point: 117.3 °C at 760 mmHg; (19)Vapour Pressure: 17.5 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cl.Cl.NCC(N)C
(2)InChI:InChI=1/C3H10N2.2ClH/c1-3(5)2-4;;/h3H,2,4-5H2,1H3;2*1H
(3)InChIKey:AEIAMRMQKCPGJR-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C3H10N2.2ClH/c1-3(5)2-4;;/h3H,2,4-5H2,1H3;2*1H
(5)Std. InChIKey:AEIAMRMQKCPGJR-UHFFFAOYSA-N