Cas no 59550-04-8 (2-Tetradecanol, 1-nitro-)
2-Tetradecanol, 1-nitro- structure
Product Name:2-Tetradecanol, 1-nitro-
CAS No:59550-04-8
MF:C14H29NO3
MW:259.384964704514
CID:338307
PubChem ID:21398670
Update Time:2025-04-19
2-Tetradecanol, 1-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Tetradecanol, 1-nitro-
- 1-nitrotetradecan-2-ol
- SCHEMBL11692164
- 59550-04-8
- DTXSID30613081
-
- Inchi： 1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3
- InChI Key： ZZLLZPMIXXORKL-UHFFFAOYSA-N
- SMILES： OC(C[N+](=O)[O-])CCCCCCCCCCCC
Computed Properties
- Exact Mass: 259.21487
- Monoisotopic Mass: 259.21474379g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 192
- 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: 5.5
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
2-Tetradecanol, 1-nitro- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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