Cas no 649765-25-3 (Cyclododecanecarboxylic acid, 2-amino-, methyl ester, (1S,2S)-)
649765-25-3 structure
Product Name:Cyclododecanecarboxylic acid, 2-amino-, methyl ester, (1S,2S)-
CAS No:649765-25-3
MF:C14H27NO2
MW:241.369684457779
CID:409758
PubChem ID:71377573
Update Time:2025-04-19
Cyclododecanecarboxylic acid, 2-amino-, methyl ester, (1S,2S)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclododecanecarboxylic acid, 2-amino-, methyl ester, (1S,2S)-
- methyl (1S,2S)-2-aminocyclododecane-1-carboxylate
- DTXSID80800207
- 649765-25-3
-
- Inchi： 1S/C14H27NO2/c1-17-14(16)12-10-8-6-4-2-3-5-7-9-11-13(12)15/h12-13H,2-11,15H2,1H3/t12-,13-/m0/s1
- InChI Key： NSBKBJHBUFGATM-STQMWFEESA-N
- SMILES： O(C)C([C@H]1CCCCCCCCCC[C@@H]1N)=O
Computed Properties
- Exact Mass: 241.20431
- Monoisotopic Mass: 241.204179104g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 218
- 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
- XLogP3: 4.4
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32
Cyclododecanecarboxylic acid, 2-amino-, methyl ester, (1S,2S)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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