| CAS Number | 893615-75-3 |
| Catalog Number | AG00IFN9(AGN-PC-0WP1OM) |
| Chemical Name | 3-Chloro-4-[(piperidin-1-yl)carbonyl]aniline |
| IUPAC Name | (4-amino-2-chlorophenyl)-piperidin-1-ylmethanone |
| InChI | InChI=1S/C12H15ClN2O/c13-11-8-9(14)4-5-10(11)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,14H2 |
| InChI Key | BTYGVWLNBSALEF-UHFFFAOYSA-N |
| MDL Number | MFCD09741785 |
| Molecular Formula | C12H15ClN2O |
| Molecular Weight | 238.7133 |
| SMILES | NC1=CC(Cl)=C(C(N2CCCCC2)=O)C=C1 |
| Synonyms | 893615-75-3,
3-chloro-4-[(piperidin-1-yl)carbonyl]aniline,
(4-Amino-2-chlorophenyl)(piperidin-1-yl)methanone,
3-chloro-4-(piperidine-1-carbonyl)aniline,
3-CHLORO-4-(PIPERIDIN-1-YLCARBONYL)ANILINE,
AC1Q51LT,
SCHEMBL2950806,
CTK7D6410,
BTYGVWLNBSALEF-UHFFFAOYSA-N,
MFCD09741785,
ZINC19258870,
AKOS000150613,
MCULE-2076591638,
NE23398,
EN300-70775,
Z927854632,
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| 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 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number