Cas no 389125-59-1 (Halaminol B)
Halaminol B structure
Product Name:Halaminol B
CAS No:389125-59-1
MF:C12H25NO
MW:199.333003759384
CID:2087284
PubChem ID:10013009
Update Time:2024-02-29
Halaminol B Chemical and Physical Properties
Names and Identifiers
-
- Halaminol B
- CHEMBL445229
- AKOS040734966
- (2S,3R)-2-aminododec-11-en-3-ol
- 389125-59-1
- (+)-Halaminol B
-
- Inchi: 1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h3,11-12,14H,1,4-10,13H2,2H3/t11-,12+/m0/s1
- InChI Key: DYBRAHBPARLKOA-NWDGAFQWSA-N
- SMILES: O[C@@H]([C@H](C)N)CCCCCCCC=C
Computed Properties
- Exact Mass: 199.193614421g/mol
- Monoisotopic Mass: 199.193614421g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.2
- XLogP3: 3.62
Experimental Properties
- Color/Form: Powder
Halaminol B Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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