Cas no 5440-41-5 ( )
structure
Product Name:
CAS No:5440-41-5
MF:C12H23NO3
MW:229.315923929214
CID:941082
PubChem ID:227945
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-acetamidodecanoic acid
- EN300-10449935
- NSC20164
- 5440-41-5
- SCHEMBL10603414
- 78590-03-1
- DS-012878
- DTXSID00281110
- NSC-20164
- AKOS013464958
-
-
- Inchi： 1S/C12H23NO3/c1-3-4-5-6-7-8-9-11(12(15)16)13-10(2)14/h11H,3-9H2,1-2H3,(H,13,14)(H,15,16)
- InChI Key： IFNBFNVQYOIJJC-UHFFFAOYSA-N
- SMILES： OC(C(CCCCCCCC)NC(C)=O)=O
Computed Properties
- Exact Mass: 229.16789
- Monoisotopic Mass: 229.168
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- Density: 1.007g/cm3
- Boiling Point: 417.8oC at 760mmHg
- Flash Point: 417.8°Cat760mmHg
- Refractive Index: 1.463
- PSA: 66.4
- LogP: 2.71720
Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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