| CAS Number | 926198-21-2 |
| Catalog Number | AG00JVF7(AGN-PC-0WOCAI) |
| Chemical Name | 1-(1,4-diazepan-1-yl)-2,2-dimethylpropan-1-one |
| IUPAC Name | 1-(1,4-diazepan-1-yl)-2,2-dimethylpropan-1-one |
| InChI | InChI=1S/C10H20N2O/c1-10(2,3)9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3 |
| InChI Key | KAHFTSDJXTZGIK-UHFFFAOYSA-N |
| MDL Number | MFCD09048331 |
| Molecular Formula | C10H20N2O |
| Molecular Weight | 184.2786 |
| SMILES | CC(C(N1CCNCCC1)=O)(C)C |
| Synonyms | 1-(1,4-diazepan-1-yl)-2,2-dimethylpropan-1-one,
926198-21-2,
AC1Q1LLM,
SCHEMBL12339843,
CTK7F3780,
KS-00001NUV,
MFCD09048331,
ZINC19679928,
AKOS000132285,
1-Pivaloylhexahydro-1H-1,4-diazepine,
MCULE-9724813992,
NE54673,
EN300-66620,
1-(2,2-DIMETHYLPROPANOYL)-1,4-DIAZEPANE,
Z228587434,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.283g/mol |
| Monoisotopic Mass | 184.158g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number