Cas no 7418-01-1 (Heptadecane, 1-isocyanato-)
Heptadecane, 1-isocyanato- structure
Product Name:Heptadecane, 1-isocyanato-
CAS No:7418-01-1
MF:C18H35NO
MW:281.476605653763
CID:541459
PubChem ID:13560103
Update Time:2025-04-19
Heptadecane, 1-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Heptadecane, 1-isocyanato-
- SCHEMBL1451214
- 7418-01-1
- n-Heptadecyl isocyanate
- n-heptadecylisocyanate
- heptadecyl isocyanate
- XIFGNGCAPGVNJX-UHFFFAOYSA-N
- 1-Isocyanatoheptadecane
- DTXSID90543850
-
- Inchi： 1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20/h2-17H2,1H3
- InChI Key： XIFGNGCAPGVNJX-UHFFFAOYSA-N
- SMILES： O=C=NCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 281.27205
- Monoisotopic Mass: 281.271864740g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 16
- Complexity: 222
- 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
- XLogP3: 9.3
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
Heptadecane, 1-isocyanato- Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
7418-01-1 (Heptadecane, 1-isocyanato-) Related Products
- 3954-13-0(1-isocyanatopentane)
- 4877-14-9(Tetradecylisocyanate)
- 4747-81-3(n-Heptyl isocyanate;Heptyl isocyanate)
- 2525-62-4(Hexyl isocyanate)
- 1943-84-6(Hexadecyl isocyanate)
- 4202-38-4(Dodecyl isocyanate)
- 3158-26-7(Octyl isocyanate)
- 13879-35-1(1,12-Diisocyanatododecane)
- 1191-69-1(Decyl isocyanate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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