| CAS Number | 1551-14-0 |
| Catalog Number | AG003AIU(AGN-PC-0NILUV) |
| Chemical Name | 2-Hexyl-1H-pyrrole |
| IUPAC Name | 2-hexyl-1H-pyrrole |
| InChI | InChI=1S/C10H17N/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9,11H,2-5,7H2,1H3 |
| InChI Key | RPVYMRBTVNNTGY-UHFFFAOYSA-N |
| MDL Number | MFCD20662635 |
| Molecular Formula | C10H17N |
| Molecular Weight | 151.2487 |
| SMILES | C(CCCCC)C=1NC=CC1 |
| Synonyms | 2-Hexyl-1H-pyrrole,
2-hexylpyrrole,
SCHEMBL2111421,
1551-14-0,
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| Complexity | 90.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.253g/mol |
| Monoisotopic Mass | 151.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
Lot Number