| CAS Number | 791098-01-6 |
| Catalog Number | AG019ND9(AGN-PC-0UE4DO) |
| Chemical Name | 5-chloro-2-(piperidine-1-carbonyl)aniline |
| IUPAC Name | (2-amino-4-chlorophenyl)-piperidin-1-ylmethanone |
| InChI | InChI=1S/C12H15ClN2O/c13-9-4-5-10(11(14)8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,14H2 |
| InChI Key | ONDLGHGVJQYNAO-UHFFFAOYSA-N |
| MDL Number | MFCD09742418 |
| Molecular Formula | C12H15ClN2O |
| Molecular Weight | 238.7133 |
| SMILES | NC1=C(C(N2CCCCC2)=O)C=CC(Cl)=C1 |
| Synonyms | 5-chloro-2-(piperidine-1-carbonyl)aniline,
791098-01-6,
5-chloro-2-(piperidin-1-ylcarbonyl)aniline,
AC1Q50TE,
Methanone, (2-amino-4-chlorophenyl)-1-piperidinyl-,
SCHEMBL3095769,
CTK6G8338,
ONDLGHGVJQYNAO-UHFFFAOYSA-N,
ZINC19260730,
AKOS000149790,
MCULE-3876429575,
NE14389,
EN300-40081,
5-chloro-2-[(piperidin-1-yl)carbonyl]aniline,
(2-amino-4-chloro-phenyl)-piperidin-1-yl-methanone,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.715g/mol |
| Monoisotopic Mass | 238.087g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number