| CAS Number | 90226-22-5 |
| Catalog Number | AG019LXM(AGN-PC-015RXB) |
| Chemical Name | N,3-dimethylcyclohexan-1-amine |
| IUPAC Name | N,3-dimethylcyclohexan-1-amine |
| InChI | InChI=1S/C8H17N/c1-7-4-3-5-8(6-7)9-2/h7-9H,3-6H2,1-2H3 |
| InChI Key | BQHWWDQRAMXLHH-UHFFFAOYSA-N |
| MDL Number | MFCD09043556 |
| Molecular Formula | C8H17N |
| Molecular Weight | 127.2273 |
| SMILES | CNC1CC(C)CCC1 |
| Synonyms | N,3-Dimethylcyclohexanamine,
N,3-dimethylcyclohexan-1-amine,
90226-22-5,
SCHEMBL84879,
AKOS000127399,
AKOS017278391,
MCULE-9367652439,
NE23010,
N,3-dimethylcyclohexan-1-amine, Mixture of diastereomers,
|
| Complexity | 80.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.231g/mol |
| Monoisotopic Mass | 127.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number