1,3-Propanediamine,N1-(3-aminopropyl)-N1-dodecyl- (2372-82-9)

The Laurylamine dipropylenediamine is an organic compound with the formula C₁₈H₄₁N₃. The IUPAC name of this chemical is N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine. With the CAS registry number 2372-82-9, it is also named as Bis(aminopropyl)laurylamine. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It is liquid which is used as disinfectant for food processing industry, institutions, hospitals (surfaces and instruments).

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): 1.06; (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): 1.18; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 19 ; (12)Index of Refraction: 1.477; (13)Molar Refractivity: 96.23 cm³; (14)Molar Volume: 340.2 cm³; (15)Polarizability: 38.14×10^-24 cm³; (16)Surface Tension: 35.7 dyne/cm; (17)Enthalpy of Vaporization: 63.5 kJ/mol; (18)Vapour Pressure: 3.63E-06 mmHg at 25°C; (19)Rotatable Bond Count: 17; (20)Exact Mass: 299.330048; (21)MonoIsotopic Mass: 299.330048; (22)Topological Polar Surface Area: 55.3; (23)Heavy Atom Count: 21; (24)Complexity: 177.

People can use the following data to convert to the molecule structure.
1. SMILES:NCCCN(CCCN)CCCCCCCCCCCC
2. InChI:InChI=1/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3
3. InChIKey:NYNKJVPRTLBJNQ-UHFFFAOYAM