Cas no 121428-70-4 (8-(pentanoylamino)octanoic acid)
121428-70-4 structure
Product Name:8-(pentanoylamino)octanoic acid
CAS No:121428-70-4
MF:C13H25NO3
MW:243.342504262924
CID:2617562
PubChem ID:454086
Update Time:2025-04-21
8-(pentanoylamino)octanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 8-(pentanoylamino)octanoic acid
- 121428-70-4
- DTXSID90332387
- AAA9/10
- SCHEMBL9827881
- Octanoic acid, 8-[(1-oxopentyl)amino]-
- 8BuCONH caprylic acid
- 8-(Butylcarbonylamino)caprylic acid
-
- Inchi： 1S/C13H25NO3/c1-2-3-9-12(15)14-11-8-6-4-5-7-10-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
- InChI Key： NIZCRTGCTDRNFK-UHFFFAOYSA-N
- SMILES： O=C(CCCC)NCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 243.18344366Da
- Monoisotopic Mass: 243.18344366Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 217
- 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: 2.6
- Topological Polar Surface Area: 66.4?2
8-(pentanoylamino)octanoic acid Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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