Cas no 16968-18-6 (1,3-Propanediamine,N1-(3-aminopropyl)-N3-methyl-)
16968-18-6 structure
Product Name:1,3-Propanediamine,N1-(3-aminopropyl)-N3-methyl-
1,3-Propanediamine,N1-(3-aminopropyl)-N3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine,N1-(3-aminopropyl)-N3-methyl-
- N-(3-Aminopropyl)-N'-methylpropane-1,3-diamine
- N-(3-AMINO-PROPYL)-N′-METHYL-PROPANE-1,3-DIAMINE
- N'-[3-(methylamino)propyl]propane-1,3-diamine
- Einecs 241-042-1
- 16968-18-6
- 1,5,9-triazadecane
- N1-(3-Aminopropyl)-N3-methyl-1,3-propanediamine
- 1,3-Propanediamine, N-(3-aminopropyl)-N'-methyl-
- 1,3-Propanediamine, N1-(3-aminopropyl)-N3-methyl-
- NS00025565
- SCHEMBL1272622
- N-(3-Aminopropyl)-N/'-methylpropane-1,3-diamine
- W-110448
- AKOS006342178
- R9M9Y9Q3C7
- DTXSID00168735
-
- Inchi： 1S/C7H19N3/c1-9-5-3-7-10-6-2-4-8/h9-10H,2-8H2,1H3
- InChI Key： RUFPEZGNIWGNQW-UHFFFAOYSA-N
- SMILES： N(CCCN)CCCNC
Computed Properties
- Exact Mass: 145.15807
- Monoisotopic Mass: 145.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 7
- Complexity: 56.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.9
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- Density: 0.878
- Boiling Point: 240°Cat760mmHg
- Flash Point: 113.2°C
- Refractive Index: 1.458
- PSA: 50.08
1,3-Propanediamine,N1-(3-aminopropyl)-N3-methyl- Related Literature
-
Luká? Pogány,Ján Moncol,Ján Pavlik,Ivan ?alitro? New J. Chem. 2017 41 5904
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Luká? Pogány,Barbora Brachňaková,Petra Masárová,Ján Moncol,Ján Pavlik,Miroslav Gál,Milan Mazúr,Radovan Herchel,Ivan Nemec,Ivan ?alitro? New J. Chem. 2019 43 13916
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