1,3-Propanediamine,N1-ethyl- (10563-23-2)

The N-Ethyl-1,3-propanediamine with the CAS number 10563-23-2 is also called 1,3-Propanediamine,N1-ethyl-. The systematic name is N-ethylpropane-1,3-diamine. Its molecular formula is C₅H₁₄N₂. The EINECS registry number is 234-146-3. The product category is Polyamines. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the N-Ethyl-1,3-propanediamine are: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -4.19; (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: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 32.34 cm³; (15)Molar Volume: 123.5 cm³; (16)Polarizability: 12.82×10^-24cm³; (17)Surface Tension: 29.5 dyne/cm; (18)Enthalpy of Vaporization: 38.36 kJ/mol; (19)Vapour Pressure: 4.59 mmHg at 25°C.

Uses: This chemical can react with formaldehyde to prepare 1-ethylhexahydropyrimidine. This reaction needs solvent H₂O at ambient temperature. The reaction time is 1.0 hour. The yield is 64%.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCCNCC
(2)InChI: InChI=1/C5H14N2/c1-2-7-5-3-4-6/h7H,2-6H2,1H3
(3)InChIKey: ODGYWRBCQWKSSH-UHFFFAOYAX