The 1,3-Propanediamine,N3,N3-diethyl-1-phenyl-, with its CAS registry number 113640-41-8, has the systematic name of N,N-diethyl-1-phenyl-propane-1,3-diamine. And it has the molecular formula of C13H22N2 and the molecular weight of 206.32718. When store it, you should keep it in the cool, dry and well-ventilated place.
The characteristics of 1,3-Propanediamine,N3,N3-diethyl-1-phenyl- are as follows: (1)#H bond acceptors: 2; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 29.26 Å2; (5)Index of Refraction: 1.523; (6)Molar Refractivity: 66.22 cm3; (7)Molar Volume: 216.4 cm3; (8)Polarizability: 26.25×10-24cm3; (9)Surface Tension: 37.6 dyne/cm; (10)Density: 0.953 g/cm3; (11)Flash Point: 129.7 °C; (12)Enthalpy of Vaporization: 54.65 kJ/mol; (13)Boiling Point: 306 °C at 760 mmHg; (14)Vapour Pressure: 0.000793 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:NC(CCN(CC)CC)c1ccccc1
(2)InChI:InChI=1/C13H22N2/c1-3-15(4-2)11-10-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,14H2,1-2H3
(3)InChIKey:KSAIKFIIHCKXGT-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C13H22N2/c1-3-15(4-2)11-10-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,14H2,1-2H3
(5)Std. InChIKey:KSAIKFIIHCKXGT-UHFFFAOYSA-N
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