| CAS Number | 51849-10-6 |
| Catalog Number | AG00ILXZ(AGN-PC-002DII) |
| Chemical Name | 1-Adamantylcarbinyl iodide |
| IUPAC Name | 1-(iodomethyl)adamantane |
| InChI | InChI=1S/C11H17I/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2 |
| InChI Key | AGIWPLUWFDFEJS-UHFFFAOYSA-N |
| MDL Number | MFCD20415024 |
| Molecular Formula | C11H17I |
| Molecular Weight | 276.1572 |
| SMILES | ICC1(C[C@@H](C2)C3)C[C@H]2C[C@H]3C1 |
| Synonyms | 1-(iodomethyl)adamantane,
1-Adamantylcarbinyl iodide,
51849-10-6,
SCHEMBL1558865,
CS-B1549,
ZINC84844754,
AKOS014116535,
NE34646,
CS-15254,
Tricyclo[3.3.1.13,7]decane, 1-(iodomethyl)-,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.161g/mol |
| Monoisotopic Mass | 276.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number