Cas no 65644-60-2 (2-methyldodecanonitrile)
2-methyldodecanonitrile structure
Product Name:2-methyldodecanonitrile
CAS No:65644-60-2
MF:C13H25N
MW:195.344303846359
CID:962268
PubChem ID:103424
Update Time:2025-04-19
2-methyldodecanonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-methyldodecanonitrile
- 2-methyldodecanenitrile
- 2-cyanododecane
- DTXSID80984197
- 65644-60-2
- EINECS 265-850-9
- NS00056700
- SCHEMBL9787863
-
- Inchi： 1S/C13H25N/c1-3-4-5-6-7-8-9-10-11-13(2)12-14/h13H,3-11H2,1-2H3
- InChI Key： ADJWCDXUXUVWNV-UHFFFAOYSA-N
- SMILES： N#CC(C)CCCCCCCCCC
Computed Properties
- Exact Mass: 195.19885
- Monoisotopic Mass: 195.1987
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 154
- 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
- Topological Polar Surface Area: 23.8
- XLogP3: 5.7
Experimental Properties
- Density: 0.824
- Boiling Point: 286.2°C at 760 mmHg
- Flash Point: 155.9°C
- Refractive Index: 1.437
- PSA: 23.79
2-methyldodecanonitrile Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
65644-60-2 (2-methyldodecanonitrile) Related Products
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- 168280-46-4(1,3,5-Cyclohexanetricarbonitrile)
- 18936-17-9(2-Methylbutyronitrile)
- 1772-25-4(Hexane-1,3,6-tricarbonitrile)
- 32730-85-1(Cycloheptanecarbonitrile)
- 4426-11-3(Cyclobutanecarbonitrile)
- 55897-64-8(2-Isopropyl-2,3-dimethyl-butyronitrile)
- 13310-75-3(2-Propylvaleronitrile)
- 7391-58-4(2-butylpropanedinitrile)
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