Cas no 62143-13-9 (2-Octanol, 8-(dimethylamino)-)
2-Octanol, 8-(dimethylamino)- structure
Product Name:2-Octanol, 8-(dimethylamino)-
CAS No:62143-13-9
MF:C10H23NO
MW:173.295723199844
CID:456594
PubChem ID:12312501
Update Time:2025-04-19
2-Octanol, 8-(dimethylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanol, 8-(dimethylamino)-
- 8-(dimethylamino)octan-2-ol
- 62143-13-9
- SCHEMBL10441028
- DTXSID50487403
-
- Inchi： 1S/C10H23NO/c1-10(12)8-6-4-5-7-9-11(2)3/h10,12H,4-9H2,1-3H3
- InChI Key： AAPLRTNXLUQYLI-UHFFFAOYSA-N
- SMILES： OC(C)CCCCCCN(C)C
Computed Properties
- Exact Mass: 173.17809
- Monoisotopic Mass: 173.177964357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 93.8
- 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: 2
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- PSA: 23.47
2-Octanol, 8-(dimethylamino)- Related Literature
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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