| CAS Number | 383129-05-3 |
| Catalog Number | AG01AILW(AGN-PC-0WOBUT) |
| Chemical Name | 2-Tert-butylazepane |
| IUPAC Name | 2-tert-butylazepane |
| InChI | InChI=1S/C10H21N/c1-10(2,3)9-7-5-4-6-8-11-9/h9,11H,4-8H2,1-3H3 |
| InChI Key | VGMDCKSILGQMBR-UHFFFAOYSA-N |
| MDL Number | MFCD02663705 |
| Molecular Formula | C10H21N |
| Molecular Weight | 155.2804 |
| SMILES | CC(C1NCCCCC1)(C)C |
| Synonyms | 2-tert-butylazepane,
383129-05-3,
AC1N2FAH,
SCHEMBL797872,
BBL021331,
MFCD02663705,
STK894040,
AKOS005638694,
MCULE-2134286447,
NE58736,
EN300-78285,
Z1696823035,
CID4020932,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.285g/mol |
| Monoisotopic Mass | 155.167g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number