Cas no 68019-25-0 (Hexanoic acid, 2-(aminomethyl)-2-methyl-)
68019-25-0 structure
Product Name:Hexanoic acid, 2-(aminomethyl)-2-methyl-
CAS No:68019-25-0
MF:C8H17NO2
MW:159.2260825634
CID:968286
PubChem ID:22482514
Update Time:2025-04-19
Hexanoic acid, 2-(aminomethyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-(aminomethyl)-2-methyl-
- SCHEMBL4902448
- Hexanoic acid,2-(aminomethyl)-2-methyl-
- 68019-25-0
-
- Inchi： 1S/C8H17NO2/c1-3-4-5-8(2,6-9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)
- InChI Key： RHTRLKRXSAVPIF-UHFFFAOYSA-N
- SMILES： OC(C(C)(CN)CCCC)=O
Computed Properties
- Exact Mass: 159.125928785g/mol
- Monoisotopic Mass: 159.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 136
- 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: -1.1
- Topological Polar Surface Area: 63.3?2
Hexanoic acid, 2-(aminomethyl)-2-methyl- Related Literature
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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