Cas no 17027-83-7 (Hexanoic acid,3,5-diamino-)
Hexanoic acid,3,5-diamino- structure
Product Name:Hexanoic acid,3,5-diamino-
Hexanoic acid,3,5-diamino- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,3,5-diamino-
- 3,5-diaminohexanoate
- 3,5-diaminohexanoic acid
- AKOS006363073
- 17027-83-7
- SCHEMBL397004
- DTXSID70937753
- Hexanoic acid, 3,5-diamino-
- 3,5-Diaminohexansaeure
-
- Inchi: 1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)
- InChI Key: NGDLSXMSQYUVSJ-UHFFFAOYSA-N
- SMILES: OC(CC(CC(C)N)N)=O
Computed Properties
- Exact Mass: 145.09779
- Monoisotopic Mass: 146.105528
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 89.3
- XLogP3: -3.6
Experimental Properties
- Density: 1.121
- Boiling Point: 308.6°Cat760mmHg
- Flash Point: 140.5°C
- PSA: 92.17
Hexanoic acid,3,5-diamino- Related Literature
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Jun-Ru Chen,Shyue-Chu Ke Phys. Chem. Chem. Phys. 2018 20 13068
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2. Reaction mechanisms: radical and radical ion reactions
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Fumitaka Kudo,Akimasa Miyanaga,Tadashi Eguchi Nat. Prod. Rep. 2014 31 1056
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