| CAS Number | 926233-64-9 |
| Catalog Number | AG00JVF5(AGN-PC-0WO9IJ) |
| Chemical Name | 1-(1,4-diazepan-1-yl)propan-1-one |
| IUPAC Name | 1-(1,4-diazepan-1-yl)propan-1-one |
| InChI | InChI=1S/C8H16N2O/c1-2-8(11)10-6-3-4-9-5-7-10/h9H,2-7H2,1H3 |
| InChI Key | BFOKZEUBUDXELO-UHFFFAOYSA-N |
| MDL Number | MFCD09048622 |
| Molecular Formula | C8H16N2O |
| Molecular Weight | 156.2254 |
| SMILES | CCC(N1CCNCCC1)=O |
| Synonyms | 1-(1,4-diazepan-1-yl)propan-1-one,
926233-64-9,
1-[1,4]diazepan-1-ylpropan-1-one,
AC1Q2RQC,
SCHEMBL13138626,
CTK6C6663,
KS-00001NUS,
MFCD09048622,
ZINC19679918,
AKOS000132190,
MCULE-7409956244,
NE49705,
EN300-50874,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.229g/mol |
| Monoisotopic Mass | 156.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number