| CAS Number | 87055-44-5 |
| Catalog Number | AG00J1GS(AGN-PC-0WB3LG) |
| Chemical Name | 2-(1,4-diazepan-1-yl)-N,N-dimethylacetamide |
| IUPAC Name | 2-(1,4-diazepan-1-yl)-N,N-dimethylacetamide |
| InChI | InChI=1S/C9H19N3O/c1-11(2)9(13)8-12-6-3-4-10-5-7-12/h10H,3-8H2,1-2H3 |
| InChI Key | GOIDSLGRZLVRND-UHFFFAOYSA-N |
| MDL Number | MFCD09047609 |
| Molecular Formula | C9H19N3O |
| Molecular Weight | 185.2667 |
| SMILES | C(=O)(N(C)C)CN1CCNCCC1 |
| Synonyms | 2-(1,4-diazepan-1-yl)-N,N-dimethylacetamide,
87055-44-5,
AC1Q3VZU,
SCHEMBL2011012,
CTK6H9168,
GOIDSLGRZLVRND-UHFFFAOYSA-N,
BBL031264,
MFCD09047609,
STL373239,
ZINC20281698,
AKOS000131574,
MCULE-4369810109,
EN300-30789,
2-[1,4]diazepan-1-yl-N,N-dimethyl-acetamide,
Y-4930,
F1909-0042,
(5r)-5-methyl-2-piperazinone,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.271g/mol |
| Monoisotopic Mass | 185.153g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number