| CAS Number | 1914148-52-9 |
| Catalog Number | AG002F89(AGN-PC-0WAMFL) |
| Chemical Name | 2-(Adamantan-1-yl)-4-methyl-1H-pyrrole |
| IUPAC Name | 2-(1-adamantyl)-4-methyl-1H-pyrrole |
| InChI | InChI=1S/C15H21N/c1-10-2-14(16-9-10)15-6-11-3-12(7-15)5-13(4-11)8-15/h2,9,11-13,16H,3-8H2,1H3 |
| InChI Key | SAAUJPCIJVBKHD-UHFFFAOYSA-N |
| MDL Number | MFCD29477676 |
| Molecular Formula | C15H21N |
| Molecular Weight | 215.3339 |
| SMILES | CC1=CNC(=C1)C12CC3CC(CC(C3)C1)C2 |
| Synonyms | 2-(Adamantan-1-yl)-4-methyl-1H-pyrrole,
1914148-52-9,
AK198643,
KS-00000TC4,
MFCD29477676,
AKOS026673929,
ZINC390823084,
DS-9910,
1H-Pyrrole, 4-methyl-2-tricyclo[3.3.1.13,7]dec-1-yl-,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.34g/mol |
| Monoisotopic Mass | 215.167g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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