| CAS Number | 54152-51-1 |
| Catalog Number | AG01AL0B(AGN-PC-0WO7QL) |
| Chemical Name | 4,4-Dimethylazepane |
| IUPAC Name | 4,4-dimethylazepane |
| InChI | InChI=1S/C8H17N/c1-8(2)4-3-6-9-7-5-8/h9H,3-7H2,1-2H3 |
| InChI Key | UVGRQCORQQWAMY-UHFFFAOYSA-N |
| MDL Number | MFCD20233653 |
| Molecular Formula | C8H17N |
| Molecular Weight | 127.2273 |
| SMILES | CC1(CCNCCC1)C |
| Synonyms | 4,4-dimethylazepane,
54152-51-1,
SCHEMBL6012129,
ZINC71372513,
AKOS022719294,
MCULE-8225608765,
NE16585,
EN300-85929,
Z1259161652,
|
| Complexity | 86.6 |
| 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 | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number