| CAS Number | 1221722-15-1 |
| Catalog Number | AG01A7OU |
| Chemical Name | 1-tert-butyl-1,4-diazepane |
| IUPAC Name | 1-tert-butyl-1,4-diazepane |
| InChI | InChI=1S/C9H20N2/c1-9(2,3)11-7-4-5-10-6-8-11/h10H,4-8H2,1-3H3 |
| InChI Key | NFTNAOZWHAOMPK-UHFFFAOYSA-N |
| MDL Number | MFCD14690000 |
| Molecular Formula | C9H20N2 |
| Molecular Weight | 156.2685 |
| SMILES | CC(N1CCNCCC1)(C)C |
| Synonyms | 1-tert-butyl-1,4-diazepane,
1221722-15-1,
1-(tert-butyl)-1,4-diazepane,
AC1Q1MKG,
SCHEMBL39972,
CTK6A9718,
ZINC39947591,
AKOS010814541,
MCULE-7534035892,
EN300-59391,
F8889-2838,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.273g/mol |
| Monoisotopic Mass | 156.163g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number