Cas no 589-54-8 (1,3-Hexanediamine)
1,3-Hexanediamine structure
Product Name:1,3-Hexanediamine
CAS No:589-54-8
MF:C6H16N2
MW:116.204641342163
CID:335419
PubChem ID:19880522
Update Time:2025-04-19
1,3-Hexanediamine Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Hexanediamine
- hexane-1,3-diamine
- 1,3-diaminohexane
- SCHEMBL127052
- AKOS006351059
- DTXSID30600956
- 589-54-8
-
- Inchi： 1S/C6H16N2/c1-2-3-6(8)4-5-7/h6H,2-5,7-8H2,1H3
- InChI Key： RPLXGDGIXIJNQD-UHFFFAOYSA-N
- SMILES： NC(CCN)CCC
Computed Properties
- Exact Mass: 116.131348519g/mol
- Monoisotopic Mass: 116.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 45.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 52?2
1,3-Hexanediamine Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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