Cas no 165962-55-0 (2-Heptanol, 6-amino-2-methyl-, (6S)-)
165962-55-0 structure
Product Name:2-Heptanol, 6-amino-2-methyl-, (6S)-
CAS No:165962-55-0
MF:C8H19NO
MW:145.242562532425
CID:2781129
PubChem ID:6604269
Update Time:2025-04-21
2-Heptanol, 6-amino-2-methyl-, (6S)- Chemical and Physical Properties
Names and Identifiers
-
- 6-amino-2-methyl-heptan-2-ol
- NCGC00016501-01
- DTXSID30424977
- SCHEMBL3163491
- 165962-55-0
- 2-Heptanol, 6-amino-2-methyl-, (6S)-
- CAS-543-15-7
- CHEMBL1741422
-
- Inchi： 1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1
- InChI Key： LREQLEBVOXIEOM-ZETCQYMHSA-N
- SMILES： OC(C)(C)CCC[C@H](C)N
Computed Properties
- Exact Mass: 145.146664230Da
- Monoisotopic Mass: 145.146664230Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 91.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 46.3?2
2-Heptanol, 6-amino-2-methyl-, (6S)- Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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