N,N'-Bis(2-aminoethyl)-1,3-propanediamine

The 1,3-Propanediamine,N1,N3-bis(2-aminoethyl)-, with the CAS registry number 4741-99-5, is also known as 1,4,8,11-Tetraazaundecane. It belongs to the product categories of Polyamines; Nitrogen Compounds; Organic Building Blocks. Its EINECS number is 225-254-1. This chemical's molecular formula is C₇H₂₀N₄ and molecular weight is 160.26. What's more, its systematic name is N,N'-Bis(2-aminoethyl)-1,3-propanediamine. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light. This chemical is a potent copruretic agent. 

Physical properties of 1,3-Propanediamine,N1,N3-bis(2-aminoethyl)- are: (1)ACD/LogP: -1.489; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.82; (4)ACD/LogD (pH 7.4): -5.61; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 76.1 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 48.739 cm³; (15)Molar Volume: 169.07 cm³; (16)Polarizability: 19.322×10^-24cm³; (17)Surface Tension: 39.79 dyne/cm; (18)Density: 0.948 g/cm³; (19)Flash Point: 156.535 °C; (20)Enthalpy of Vaporization: 52.611 kJ/mol; (21)Boiling Point: 286.963 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Preparation of 1,3-Propanediamine,N1,N3-bis(2-aminoethyl)-: this chemical can be prepared by ethane-1,2-diamine and 1,3-dibromo-propane. This reaction will need reagent KOH. The yield is about 42%.

Uses of 1,3-Propanediamine,N1,N3-bis(2-aminoethyl)-: it can be used to produce 2-[3-(2-amino-ethyl)-tetrahydro-pyrimidin-1-yl]-ethylamine. It will need solvent H₂O with the reaction time of 1 hour. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection, and you must avoid contact with eyes. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: N(CCN)CCCNCCN
(2)Std. InChI: InChI=1S/C7H20N4/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-9H2
(3)Std. InChIKey: UWMHHZFHBCYGCV-UHFFFAOYSA-N