| CAS Number | 20095-67-4 |
| Catalog Number | AG01B4WX |
| Chemical Name | 1-Aminocyclooctane-1-carbonitrile hydrochloride |
| IUPAC Name | 1-aminocyclooctane-1-carbonitrile;hydrochloride |
| InChI | InChI=1S/C9H16N2.ClH/c10-8-9(11)6-4-2-1-3-5-7-9;/h1-7,11H2;1H |
| InChI Key | CBIBMHRKPNYEGP-UHFFFAOYSA-N |
| MDL Number | MFCD29991822 |
| Molecular Formula | C9H17ClN2 |
| Molecular Weight | 188.6977 |
| SMILES | Cl.NC1(C#N)CCCCCCC1 |
| Synonyms | 1-aminocyclooctane-1-carbonitrile hydrochloride,
20095-67-4,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.699g/mol |
| Monoisotopic Mass | 188.108g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number