| CAS Number | 38659-86-8 |
| Catalog Number | AG00C62R(AGN-PC-0WB4GR) |
| Chemical Name | N-[4-(Dimethylamino)phenyl]-3-oxobutanamide |
| IUPAC Name | N-[4-(dimethylamino)phenyl]-3-oxobutanamide |
| InChI | InChI=1S/C12H16N2O2/c1-9(15)8-12(16)13-10-4-6-11(7-5-10)14(2)3/h4-7H,8H2,1-3H3,(H,13,16) |
| InChI Key | AWQYGTWWJLTNMY-UHFFFAOYSA-N |
| MDL Number | MFCD01001277 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | C(=O)(NC1C=CC(=CC=1)N(C)C)CC(C)=O |
| Synonyms | 38659-86-8,
N-[4-(DIMETHYLAMINO)PHENYL]-3-OXOBUTANAMIDE,
CHEMBRDG-BB 6094311,
N-(4-(Dimethylamino)phenyl)-3-oxobutanamide,
AC1LIL2L,
CTK4I0284,
DTXSID90359296,
ZINC563881,
ZX-CM016493,
MFCD01001277,
AKOS008967772,
ACM38659868,
AJ-23505,
N-[4-(dimethylamino)phenyl]acetoacetamide,
N-(4-dimethylaminophenyl)-3-oxobutanamide,
W-7773,
CID957139,
N-(4-dimethylaminophenyl)-3-oxo-butanamide,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number