Cas no 15828-43-0 (1,3-Cyclohexanediamine, 1,5,5-trimethyl-)
15828-43-0 structure
Product Name:1,3-Cyclohexanediamine, 1,5,5-trimethyl-
CAS No:15828-43-0
MF:C9H20N2
MW:156.268502235413
CID:121201
PubChem ID:18377699
Update Time:2025-04-18
1,3-Cyclohexanediamine, 1,5,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanediamine, 1,5,5-trimethyl-
- 1,5,5-Trimethyl-1,3-cyclohexanediamine
- SCHEMBL1003423
- 1,5,5-trimethylcyclohexane-1,3-diamine
- 15828-43-0
- 1,3-Cyclohexanediamine, 1,5,5-trimethyl-
-
- Inchi: 1S/C9H20N2/c1-8(2)4-7(10)5-9(3,11)6-8/h7H,4-6,10-11H2,1-3H3
- InChI Key: DNMWKVLCHRNMFF-UHFFFAOYSA-N
- SMILES: NC1(C)CC(CC(C)(C)C1)N
Computed Properties
- Exact Mass: 156.1628
- Monoisotopic Mass: 156.162648646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 154
- 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
- XLogP3: 0.7
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.04
1,3-Cyclohexanediamine, 1,5,5-trimethyl- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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