| CAS Number | 1427380-53-7 |
| Catalog Number | AG01A3P1(AGN-PC-0WOWP2) |
| Chemical Name | 1-(2,2-Difluoroethyl)-1,4-diazepane hydrochloride |
| IUPAC Name | 1-(2,2-difluoroethyl)-1,4-diazepane;hydrochloride |
| InChI | InChI=1S/C7H14F2N2.ClH/c8-7(9)6-11-4-1-2-10-3-5-11;/h7,10H,1-6H2;1H |
| InChI Key | HIJIVTPOWBMOOB-UHFFFAOYSA-N |
| MDL Number | MFCD23144050 |
| Molecular Formula | C7H15ClF2N2 |
| Molecular Weight | 200.6572 |
| SMILES | Cl.FC(CN1CCNCCC1)F |
| Synonyms | 1-(2,2-difluoroethyl)-1,4-diazepane hydrochloride,
1427380-53-7,
AKOS026745332,
NE17041,
A1-07222,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.658g/mol |
| Monoisotopic Mass | 200.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number