| CAS Number | 926219-21-8 |
| Catalog Number | AG019NI1(AGN-PC-0WOSRW) |
| Chemical Name | 4-Chloro-2-(pyrrolidin-1-ylcarbonyl)aniline |
| IUPAC Name | (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C11H13ClN2O/c12-8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2 |
| InChI Key | MQNFUAUURHFKJW-UHFFFAOYSA-N |
| MDL Number | MFCD09048591 |
| Molecular Formula | C11H13ClN2O |
| Molecular Weight | 224.6867 |
| SMILES | NC1=C(C(N2CCCC2)=O)C=C(Cl)C=C1 |
| Synonyms | 926219-21-8,
4-chloro-2-(pyrrolidin-1-ylcarbonyl)aniline,
4-chloro-2-(pyrrolidine-1-carbonyl)aniline,
(2-Amino-5-chlorophenyl)(pyrrolidin-1-yl)methanone,
(2-Amino-5-chloro-phenyl)-pyrrolidin-1-yl-methanone,
AC1Q50R4,
SCHEMBL6366988,
CTK7F6007,
MQNFUAUURHFKJW-UHFFFAOYSA-N,
ZINC20155197,
AKOS000132196,
MCULE-3083007166,
NE19324,
EN300-40486,
4-chloro-2-[(pyrrolidin-1-yl)carbonyl]aniline,
{2-Amino-5-chlorophenyl}(1-pyrrolidinyl)methanone,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.688g/mol |
| Monoisotopic Mass | 224.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number