Cas no 116045-25-1 (12-(hexadecanoylamino)dodecanoic acid)
116045-25-1 structure
Product Name:12-(hexadecanoylamino)dodecanoic acid
CAS No:116045-25-1
MF:C28H55NO3
MW:453.74120926857
CID:2613994
PubChem ID:19824108
Update Time:2025-04-21
12-(hexadecanoylamino)dodecanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 12-(hexadecanoylamino)dodecanoic acid
- SCHEMBL9840650
- N-(1-Oxohexadecyl)-12-aminododecanoic acid
- DTXSID10600338
- 116045-25-1
- IHDMBCLUVRBCER-UHFFFAOYSA-N
-
- Inchi： 1S/C28H55NO3/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-27(30)29-26-23-20-17-14-11-13-16-19-22-25-28(31)32/h2-26H2,1H3,(H,29,30)(H,31,32)
- InChI Key： IHDMBCLUVRBCER-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCC)NCCCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 453.41819462Da
- Monoisotopic Mass: 453.41819462Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 32
- Rotatable Bond Count: 26
- Complexity: 411
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.7
- Topological Polar Surface Area: 66.4?2
12-(hexadecanoylamino)dodecanoic acid Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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