Cas no 646027-00-1 (Cyclooctanamine, N-(1-methyl-2-phenylethyl)-)
646027-00-1 structure
Product Name:Cyclooctanamine, N-(1-methyl-2-phenylethyl)-
CAS No:646027-00-1
MF:C17H27N
MW:245.402984857559
CID:422647
PubChem ID:63419422
Update Time:2025-04-19
Cyclooctanamine, N-(1-methyl-2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclooctanamine, N-(1-methyl-2-phenylethyl)-
- N-(1-phenylpropan-2-yl)cyclooctanamine
- DTXSID70734587
- 646027-00-1
- AKOS012726691
-
- Inchi： 1S/C17H27N/c1-15(14-16-10-6-5-7-11-16)18-17-12-8-3-2-4-9-13-17/h5-7,10-11,15,17-18H,2-4,8-9,12-14H2,1H3
- InChI Key： BCQKRMGMXZITKT-UHFFFAOYSA-N
- SMILES： N(C(C)CC1C=CC=CC=1)C1CCCCCCC1
Computed Properties
- Exact Mass: 245.21451
- Monoisotopic Mass: 245.214349865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 200
- 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: 5.1
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
Cyclooctanamine, N-(1-methyl-2-phenylethyl)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
646027-00-1 (Cyclooctanamine, N-(1-methyl-2-phenylethyl)-) Related Products
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