Cas no 170572-96-0 (1,3-Cyclohexanediamine,4-(1-methylethyl)-(9CI))
170572-96-0 structure
Product Name:1,3-Cyclohexanediamine,4-(1-methylethyl)-(9CI)
CAS No:170572-96-0
MF:C9H20N2
MW:156.268502235413
CID:905289
Update Time:2023-04-01
1,3-Cyclohexanediamine,4-(1-methylethyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Cyclohexanediamine,4-(1-methylethyl)-(9CI)
- 1,3-Cyclohexanediamine, 4-(1-methylethyl)-
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- Inchi： 1S/C9H20N2/c1-6(2)8-4-3-7(10)5-9(8)11/h6-9H,3-5,10-11H2,1-2H3
- InChI Key： ZDDFFVJKABGMAJ-UHFFFAOYSA-N
- SMILES： C1(N)CCC(C(C)C)C(N)C1
Computed Properties
- Exact Mass: 156.163
- Monoisotopic Mass: 156.163
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 123
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52A^2
1,3-Cyclohexanediamine,4-(1-methylethyl)-(9CI) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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