| CAS Number | 1306606-61-0 |
| Catalog Number | AG01AIES(AGN-PC-0WOBJ6) |
| Chemical Name | 4-(Propan-2-yl)azepane |
| IUPAC Name | 4-propan-2-ylazepane |
| InChI | InChI=1S/C9H19N/c1-8(2)9-4-3-6-10-7-5-9/h8-10H,3-7H2,1-2H3 |
| InChI Key | PERQRFSWSFUTEO-UHFFFAOYSA-N |
| MDL Number | MFCD18839038 |
| Molecular Formula | C9H19N |
| Molecular Weight | 141.2539 |
| SMILES | CC(C1CCNCCC1)C |
| Synonyms | 4-(propan-2-yl)azepane,
1306606-61-0,
SCHEMBL12309036,
AKOS017402316,
MCULE-5540544521,
NE27334,
EN300-77619,
F8881-3496,
Z1267882106,
|
| Complexity | 88.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.258g/mol |
| Monoisotopic Mass | 141.152g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number