| CAS Number | 1250313-15-5 |
| Catalog Number | AG01E8FO |
| Chemical Name | 3-amino-4-chloro-N-(2,2-dimethylpropyl)benzamide |
| IUPAC Name | 3-amino-4-chloro-N-(2,2-dimethylpropyl)benzamide |
| InChI | InChI=1S/C12H17ClN2O/c1-12(2,3)7-15-11(16)8-4-5-9(13)10(14)6-8/h4-6H,7,14H2,1-3H3,(H,15,16) |
| InChI Key | VYUALZYOEHNFNJ-UHFFFAOYSA-N |
| MDL Number | MFCD14593415 |
| Molecular Formula | C12H17ClN2O |
| Molecular Weight | 240.7292 |
| SMILES | CC(CNC(C1=CC(N)=C(Cl)C=C1)=O)(C)C |
| Synonyms | 3-amino-4-chloro-N-neopentylbenzamide,
3-amino-4-chloro-N-(2,2-dimethylpropyl)benzamide,
SCHEMBL10323127,
VYUALZYOEHNFNJ-UHFFFAOYSA-N,
ZINC40494401,
AKOS010415169,
1250313-15-5,
Z2830704609,
15038-67-2,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.731g/mol |
| Monoisotopic Mass | 240.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number