N,N'-Diethyl-1,3-propanediamine (10061-68-4)

The N,N'-Diethyl-1,3-propanediamine with the CAS number 10061-68-4 is also called 1,3-Propanediamine,N1,N3-diethyl-. Its EINECS registry number is 233-200-3. The molecular formula is C₇H₁₈N₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.59; (4)ACD/LogD (pH 7.4): -3.55; (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: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 41.66 cm³; (15)Molar Volume: 161.7 cm³; (16)Polarizability: 16.51×10^-24cm³; (17)Surface Tension: 26.4 dyne/cm; (18)Enthalpy of Vaporization: 42.21 kJ/mol; (19)Vapour Pressure: 0.681 mmHg at 25°C.

Uses: This chemical can react with formaldehyde to prepare 1,3-diethyl-hexahydro-pyrimidine. This reaction needs solvent H₂O and acetic acid at temperature of 20°C. The reaction time is 1.0 hour.

While using this chemical, you should be very cautious. This chemical is flammable and can cause burns. It may cause sensitization by skin contact. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: N(CC)CCCNCC
(2)InChI: InChI=1/C7H18N2/c1-3-8-6-5-7-9-4-2/h8-9H,3-7H2,1-2H3
(3)InChIKey: BEPGHZIEOVULBU-UHFFFAOYAQ