| CAS Number | 65796-91-0 |
| Catalog Number | AG00FRBD(AGN-PC-00LIR5) |
| Chemical Name | 3-(methylamino)azepan-2-one |
| EC Number | 265-927-7 |
| IUPAC Name | 3-(methylamino)azepan-2-one |
| InChI | InChI=1S/C7H14N2O/c1-8-6-4-2-3-5-9-7(6)10/h6,8H,2-5H2,1H3,(H,9,10) |
| InChI Key | DWDJOZZRBORZQE-UHFFFAOYSA-N |
| MDL Number | MFCD00038672 |
| Molecular Formula | C7H14N2O |
| Molecular Weight | 142.1989 |
| SMILES | CNC1C(=O)NCCCC1 |
| Synonyms | 3-(methylamino)azepan-2-one,
65796-91-0,
Hexahydro-3-(methylamino)-2H-azepin-2-one,
EINECS 265-927-7,
AC1O5AZI,
SCHEMBL327869,
AC1Q410M,
CTK5C3116,
AKOS000206109,
AKOS022473829,
MCULE-8789613684,
NE41083,
EN300-65074,
Z234896383,
hexahydro-3- -2H-azepin-2-one,
C7-H14-N2-O,
CID6455199,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.202g/mol |
| Monoisotopic Mass | 142.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number