| CAS Number | 1018498-91-3 |
| Catalog Number | AG019TFV(AGN-PC-0WOAXY) |
| Chemical Name | 4-chloro-3-[(piperidin-1-yl)methyl]aniline |
| IUPAC Name | 4-chloro-3-(piperidin-1-ylmethyl)aniline |
| InChI | InChI=1S/C12H17ClN2/c13-12-5-4-11(14)8-10(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,14H2 |
| InChI Key | MQWNBMBBDXMIHJ-UHFFFAOYSA-N |
| MDL Number | MFCD10021402 |
| Molecular Formula | C12H17ClN2 |
| Molecular Weight | 224.7298 |
| SMILES | NC1=CC(CN2CCCCC2)=C(Cl)C=C1 |
| Synonyms | 4-chloro-3-(piperidin-1-ylmethyl)aniline,
1018498-91-3,
SCHEMBL15065984,
ZINC20192482,
AKOS009359832,
NE56162,
DA-48353,
FT-0709504,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.732g/mol |
| Monoisotopic Mass | 224.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number