Cas no 68527-83-3 (propanenitrile, 3-(tetradecyloxy)-)
68527-83-3 structure
Product Name:propanenitrile, 3-(tetradecyloxy)-
CAS No:68527-83-3
MF:C17H33NO
MW:267.450025320053
CID:863080
PubChem ID:110472
Update Time:2025-04-19
propanenitrile, 3-(tetradecyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- propanenitrile, 3-(tetradecyloxy)-
- 3-(tetradecyloxy)propanenitrile
- Propionitrile, 3-tetradecyloxy-
- DTXSID5071620
- 68527-83-3
- EINECS 271-289-0
- NS00036637
-
- Inchi： 1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h2-14,16-17H2,1H3
- InChI Key： NSEZEILPAFNORQ-UHFFFAOYSA-N
- SMILES： O(CCC#N)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 267.25639
- Monoisotopic Mass: 267.256215
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 15
- Complexity: 207
- 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
- Topological Polar Surface Area: 33
- XLogP3: 6.4
Experimental Properties
- Density: 0.865
- Boiling Point: 383°C at 760 mmHg
- Flash Point: 161.3°C
- Refractive Index: 1.446
- PSA: 33.02
propanenitrile, 3-(tetradecyloxy)- Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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