| CAS Number | 81099-47-0 |
| Catalog Number | AG01EJRS |
| Chemical Name | 3-[(adamantan-1-yl)amino]propanenitrile hydrochloride |
| IUPAC Name | 3-(1-adamantylamino)propanenitrile;hydrochloride |
| InChI | InChI=1S/C13H20N2.ClH/c14-2-1-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12,15H,1,3-9H2;1H |
| InChI Key | SIJZJFMNQTUQKW-UHFFFAOYSA-N |
| MDL Number | MFCD30749880 |
| Molecular Formula | C13H21ClN2 |
| Molecular Weight | 240.7722 |
| SMILES | Cl.N#CCCNC12CC3CC(C1)CC(C3)C2 |
| Synonyms | 3-[(adamantan-1-yl)amino]propanenitrile hydrochloride,
81099-47-0,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.775g/mol |
| Monoisotopic Mass | 240.139g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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