Cas no 94246-79-4 (Isoheptadecanamine(9CI))
Isoheptadecanamine(9CI) structure
Product Name:Isoheptadecanamine(9CI)
CAS No:94246-79-4
MF:C17H37N
MW:255.482385396957
CID:805968
PubChem ID:19374076
Update Time:2025-04-19
Isoheptadecanamine(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Isoheptadecanamine(9CI)
- 15-methylhexadecan-1-amine
- isoheptadecylamine
- 94246-79-4
- EINECS 304-153-7
- SCHEMBL1507452
- DTXSID20241231
-
- Inchi： 1S/C17H37N/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18/h17H,3-16,18H2,1-2H3
- InChI Key： OLHYAXGUOJWHBB-UHFFFAOYSA-N
- SMILES： NCCCCCCCCCCCCCCC(C)C
Computed Properties
- Exact Mass: 255.292600184g/mol
- Monoisotopic Mass: 255.292600184g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 14
- Complexity: 143
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 26?2
Isoheptadecanamine(9CI) 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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
94246-79-4 (Isoheptadecanamine(9CI)) Related Products
- 104-75-6(2-Ethylhexylamine)
- 4442-85-7(2-cyclohexylethan-1-amine)
- 5763-55-3(2-cyclopentylethan-1-amine)
- 62893-54-3(2-cyclopropylethan-1-amine)
- 4361-44-8(3-cyclohexylpropan-1-amine)
- 60637-97-0(2-cyclobutylethan-1-amine)
- 4441-59-2(4-Cyclohexylbutan-1-amine)
- 4448-77-5(Cycloheptanemethylamine)
- 1321-35-3(6-Methylheptan-1-amine)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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