| CAS Number | 30436-23-8 |
| Catalog Number | AG01A9HA(AGN-PC-0LLW4F) |
| Chemical Name | 4-(Diethylcarbamoyl)butanoic acid |
| IUPAC Name | 5-(diethylamino)-5-oxopentanoic acid |
| InChI | InChI=1S/C9H17NO3/c1-3-10(4-2)8(11)6-5-7-9(12)13/h3-7H2,1-2H3,(H,12,13) |
| InChI Key | XYMWLIJFLBQNMI-UHFFFAOYSA-N |
| MDL Number | MFCD03376264 |
| Molecular Formula | C9H17NO3 |
| Molecular Weight | 187.2362 |
| SMILES | CCN(C(CCCC(O)=O)=O)CC |
| Synonyms | 4-(diethylcarbamoyl)butanoic Acid,
30436-23-8,
5-(diethylamino)-5-oxopentanoic acid,
AC1NMVLH,
Pentanoic acid, 5-(diethylamino)-5-oxo-,
AC1Q2YTF,
4-diethylcarbamoyl-butyric acid,
SCHEMBL15378315,
CTK6E6870,
XYMWLIJFLBQNMI-UHFFFAOYSA-N,
ZINC6046197,
AKOS000129739,
MCULE-9920931126,
NE21020,
EN300-65107,
CID5057876,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.239g/mol |
| Monoisotopic Mass | 187.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number