Cas no 69704-44-5 (N,N,N'',N''-TETRAETHYL-1,4-BUTANEDIAMINE))
69704-44-5 structure
Product Name:N,N,N'',N''-TETRAETHYL-1,4-BUTANEDIAMINE)
CAS No:69704-44-5
MF:C12H28N2
MW:200.364123344421
CID:974043
PubChem ID:22292291
Update Time:2025-04-19
N,N,N'',N''-TETRAETHYL-1,4-BUTANEDIAMINE) Chemical and Physical Properties
Names and Identifiers
-
- N,N,N',N'-tetraethylbutane-1,4-diamine
- 1,4-butanediamine, N1
- LogP
- 69704-44-5
- N~1~,N~1~,N~4~,N~4~-Tetraethylbutane-1,4-diamine
- SCHEMBL234338
- n,n,n',n'-tetraethyl-1,4-diaminobutane
- DTXSID80624465
- N,N,N'',N''-TETRAETHYL-1,4-BUTANEDIAMINE)
-
- Inchi： 1S/C12H28N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5-12H2,1-4H3
- InChI Key： YXVIGUHBJDFXKZ-UHFFFAOYSA-N
- SMILES： N(CC)(CC)CCCCN(CC)CC
Computed Properties
- Exact Mass: 200.22544
- Monoisotopic Mass: 200.225248902g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 92.9
- 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: 2.5
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- Density: 0.8417 (rough estimate)
- Boiling Point: 328.12°C (rough estimate)
- Refractive Index: 1.4383
- PSA: 6.48
N,N,N'',N''-TETRAETHYL-1,4-BUTANEDIAMINE) Security Information
- Hazardous Material transportation number：2735
- HazardClass：8
- PackingGroup：III
N,N,N'',N''-TETRAETHYL-1,4-BUTANEDIAMINE) Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
69704-44-5 (N,N,N'',N''-TETRAETHYL-1,4-BUTANEDIAMINE)) Related Products
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