Cas no 72799-65-6 (2-Octanol, 1-amino-2-methyl-)
2-Octanol, 1-amino-2-methyl- structure
Product Name:2-Octanol, 1-amino-2-methyl-
CAS No:72799-65-6
MF:C9H21NO
MW:159.269142866135
CID:543421
PubChem ID:11073711
Update Time:2025-04-19
2-Octanol, 1-amino-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanol, 1-amino-2-methyl-
- 1-amino-2-methyloctan-2-ol
- CHEMBL18444
- 1-amino-2-methyl-octan-2-ol
- BDBM50028810
- SCHEMBL7155451
- 72799-65-6
- DTXSID60454181
-
- Inchi： 1S/C9H21NO/c1-3-4-5-6-7-9(2,11)8-10/h11H,3-8,10H2,1-2H3
- InChI Key： RKBWVYGDXDVCME-UHFFFAOYSA-N
- SMILES： OC(C)(CN)CCCCCC
Computed Properties
- Exact Mass: 159.16243
- Monoisotopic Mass: 159.162314293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 95.6
- 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: 1.7
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.25
2-Octanol, 1-amino-2-methyl- Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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