| CAS Number | 912361-56-9 |
| Catalog Number | AG00IGJR(AGN-PC-0WAMFK) |
| Chemical Name | 2-(Adamantan-1-yl)-1H-pyrrole |
| IUPAC Name | 2-(1-adamantyl)-1H-pyrrole |
| InChI | InChI=1S/C14H19N/c1-2-13(15-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12,15H,4-9H2 |
| InChI Key | UFEYSLWXIVXTAH-UHFFFAOYSA-N |
| MDL Number | MFCD24566535 |
| Molecular Formula | C14H19N |
| Molecular Weight | 201.3074 |
| SMILES | C1(C23CC4CC(C3)CC(C4)C2)=CC=CN1 |
| Synonyms | 2-(Adamantan-1-yl)-1H-pyrrole,
912361-56-9,
AK198642,
adamantylazole,
2-(1-adamantyl)-1H-pyrrole,
KS-00000TC3,
MFCD24566535,
AKOS026673928,
ZINC137839496,
DS-9909,
CID11974410,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.313g/mol |
| Monoisotopic Mass | 201.152g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number