| CAS Number | 89601-24-1 |
| Catalog Number | AG003EKV(AGN-PC-025D9Z) |
| Chemical Name | 1-N-Octadecylpyrrole |
| IUPAC Name | 1-octadecylpyrrole |
| InChI | InChI=1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-23/h18-19,21-22H,2-17,20H2,1H3 |
| InChI Key | BMSMIJNAHWEOBQ-UHFFFAOYSA-N |
| MDL Number | MFCD00144990 |
| Molecular Formula | C22H41N |
| Molecular Weight | 319.5676 |
| SMILES | C(CCCCCCCCCCCCCCCCC)N1C=CC=C1 |
| Synonyms | 1-n-octadecylpyrrole,
89601-24-1,
1-Octadecylpyrrole,
1-octadecyl-1H-pyrrole,
ACMC-209r20,
SCHEMBL4736062,
DTXSID90597393,
ANW-39334,
CO-066,
MFCD00144990,
AKOS015839793,
ZINC100025680,
TR-028132,
FT-0760007,
O0219,
C-56602,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.324g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.577g/mol |
| Monoisotopic Mass | 319.324g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 4.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.4 |
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Certificate of Analysis
Lot Number