Cas no 207000-30-4 (Naphthalene,2-octadecyl-)
Naphthalene,2-octadecyl- structure
Product Name:Naphthalene,2-octadecyl-
CAS No:207000-30-4
MF:C7H13NO
MW:127.184221982956
CID:241771
PubChem ID:17914400
Update Time:2025-04-19
Naphthalene,2-octadecyl- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene,2-octadecyl-
- 2-Octadecylnaphthalene
- Octadecane,1-(2-naphthyl)- (7CI,8CI)
- SCHEMBL8347453
- 207000-30-4
- 1,3,4-Trimethylpyrrolidin-2-one
-
- Inchi： 1S/C7H13NO/c1-5-4-8(3)7(9)6(5)2/h5-6H,4H2,1-3H3
- InChI Key： PYNAPJPRIRHMGH-UHFFFAOYSA-N
- SMILES： O=C1C(C)C(C)CN1C
Computed Properties
- Exact Mass: 380.34452
- Monoisotopic Mass: 127.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 133
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.3A^2
- XLogP3: 0.8
Experimental Properties
- PSA: 0
Naphthalene,2-octadecyl- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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