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| CAS No.: | 4963-47-7 |
|---|---|
| Name: | TRIS(3-AMINOPROPYL)AMINE |
| Molecular Structure: | |
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| Formula: | C9H24N4 |
| Molecular Weight: | 188.316 |
| Synonyms: | N,N-Bis(3-aminopropyl)trimethylenediamine; |
| Density: | 0.963 g/cm3 |
| Boiling Point: | 296.6 °C at 760 mmHg |
| Flash Point: | 131.4 °C |
| Hazard Symbols: | C |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 81.30000 |
| LogP: | 1.43570 |
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Specification
The 1,3-Propanediamine, N,N-bis(3-aminopropyl)-, with the CAS registry number 4963-47-7, is also known as N,N-Bis(3-aminopropyl)trimethylenediamine. This chemical's molecular formula is C9H24N4 and molecular weight is 188.3137. What's more, both its IUPAC name and systematic name are the same which is N',N'-Bis(3-aminopropyl)propane-1,3-diamine.
Physical properties about this chemical are: (1)ACD/LogP: -1.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.24; (4)ACD/LogD (pH 7.4): -6.08; (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: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 12.96 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 58.07 cm3; (15)Molar Volume: 195.3 cm3; (16)Polarizability: 23.02×10-24 cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 0.963 g/cm3; (19)Flash Point: 131.4 °C; (20)Enthalpy of Vaporization: 53.63 kJ/mol; (21)Boiling Point: 296.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00142 mmHg at 25 °C.
Preparation of 1,3-Propanediamine, N,N-bis(3-aminopropyl)-: this chemical can be prepared by 3,3',3''-Nitrilo-tri-propionitrile. This reaction needs reagents NH3 and H2 and catalyst Raney nickel at temperature of 130 °C. In addition, the reaction time is 2 days.
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Use of 1,3-Propanediamine, N,N-bis(3-aminopropyl)-: it is used to produce other chemicals. For example, it is used to produce 3-[[3-{Bis-[3-[bis-(2-cyano-ethyl)-amino]-propyl]-amino}-propyl]-(2-cyano-ethyl)-amino]-propionitrile. The reaction occurs with reagent Glacial acetic acid. This reaction will occur at the condition of heating for 2 days.
![1,3-Propanediamine, N,N-bis(3-aminopropyl)- is used to produce 3-[[3-{Bis-[3-[bis-(2-cyano-ethyl)-amino]-propyl]-amino}-propyl]-(2-cyano-ethyl)-amino]-propionitrile](/UserFilesUpload/Use of 1,3-Propanediamine, N,N-bis(3-aminopropyl)-.png)
When you are dealing with this chemical, you should be very careful. This chemical can cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: NCCCN(CCCN)CCCN
(2) InChI: InChI=1/C9H24N4/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-12H2
(3) InChIKey: QMXSDTGNCZVWTB-UHFFFAOYAD