Cas no 42968-91-2 (1-Amino-3-aminoethyl-3,5,5-trimethylcyclohexane)
42968-91-2 structure
Product Name:1-Amino-3-aminoethyl-3,5,5-trimethylcyclohexane
CAS No:42968-91-2
MF:C11H24N2
MW:184.321662902832
CID:2843270
Update Time:2023-08-07
1-Amino-3-aminoethyl-3,5,5-trimethylcyclohexane Chemical and Physical Properties
Names and Identifiers
-
- 1-Amino-3-aminoethyl-3,5,5-trimethylcyclohexane
- G5965APY57
- Cyclohexaneethanamine, 3-amino-1,5,5-trimethyl-
- Cyclohexaneethanamine, 5-amino-1,3,3-trimethyl-
- 3-aminoethyl-3,5,5-trimethylcyclohexyl amine
- Q27278782
-
- Inchi： 1S/C11H24N2/c1-10(2)6-9(13)7-11(3,8-10)4-5-12/h9H,4-8,12-13H2,1-3H3
- InChI Key： CNKKFFNIHJXBFX-UHFFFAOYSA-N
- SMILES： NC1CC(C)(C)CC(C)(CCN)C1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 177
- XLogP3: 1.6
- Topological Polar Surface Area: 52
1-Amino-3-aminoethyl-3,5,5-trimethylcyclohexane Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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