Cas no 74058-69-8 (Hexadecanamide, N-(1-methylpropyl)-)
74058-69-8 structure
Product Name:Hexadecanamide, N-(1-methylpropyl)-
CAS No:74058-69-8
MF:C20H41NO
MW:311.545646429062
CID:1764085
PubChem ID:13445341
Update Time:2025-04-21
Hexadecanamide, N-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanamide, N-(1-methylpropyl)-
- 74058-69-8
- DTXSID201303011
- URHNAYNJPDEERP-UHFFFAOYSA-N
- N-(1-Methylpropyl)hexadecanamide
- SCHEMBL2058975
-
- Inchi： 1S/C20H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)21-19(3)5-2/h19H,4-18H2,1-3H3,(H,21,22)
- InChI Key： URHNAYNJPDEERP-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCC)NC(C)CC
Computed Properties
- Exact Mass: 311.318814931g/mol
- Monoisotopic Mass: 311.318814931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 240
- 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: 8.2
- Topological Polar Surface Area: 29.1?2
Hexadecanamide, N-(1-methylpropyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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