N-Acetylethylenediamine

The CAS register number of N-Acetylethylenediamine is 1001-53-2. It also can be called as Acetamide,N-(2-aminoethyl)- and the IUPAC name about this chemical is N-(2-aminoethyl)acetamide. The molecular formula about this chemical is C₄H₁₀N₂O and molecular weight is 102.13. It belongs to the Intermediates of Dyes and Pigments. This chemical can cause burns, please avoid contact with skin and eyes. When you are using it, please do not breathe vapour. This chemical can be used as intermediate of dye. This chemical can be produced by the condensation of ethylenediamine and acetic anhydride.

Physical properties about N-Acetylethylenediamine are: (1)ACD/LogP: -1.62; (2)ACD/LogD (pH 5.5): -4.42; (3)ACD/LogD (pH 7.4): -2.84; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 23.55Ų; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 27.74 cm³; (14)Molar Volume: 104.1 cm³; (15)Polarizability: 10.99x10^-24cm³; (16)Surface Tension: 34.9 dyne/cm; (17)Enthalpy of Vaporization: 52.96 kJ/mol; (18)Boiling Point: 290.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0021 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid ethyl ester and ethane-1,2-diamine at ambient temperature. The reaction time is 4 day(s). The yield is about 67%.

Uses of N-Acetylethylenediamine: it can be used to produce N,N-Bis-(2-hydroxy-aethyl)-N'-acetyl-aethylendiam with oxirane. This reaction will need reagent H₂O.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCN)C
(2)InChI: InChI=1/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)
(3)InChIKey: DAKZISABEDGGSV-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)
(5)Std. InChIKey: DAKZISABEDGGSV-UHFFFAOYSA-N