| CAS Number | 1019380-49-4 |
| Catalog Number | AG01AH1R |
| Chemical Name | {1-[(3-chlorophenyl)methyl]piperidin-2-yl}methanamine |
| IUPAC Name | [1-[(3-chlorophenyl)methyl]piperidin-2-yl]methanamine |
| InChI | InChI=1S/C13H19ClN2/c14-12-5-3-4-11(8-12)10-16-7-2-1-6-13(16)9-15/h3-5,8,13H,1-2,6-7,9-10,15H2 |
| InChI Key | VRXJFIYVRMSOSG-UHFFFAOYSA-N |
| MDL Number | MFCD11131546 |
| Molecular Formula | C13H19ClN2 |
| Molecular Weight | 238.7564 |
| SMILES | NCC1N(CC2=CC(Cl)=CC=C2)CCCC1 |
| Synonyms | {1-[(3-chlorophenyl)methyl]piperidin-2-yl}methanamine,
1019380-49-4,
(1-(3-Chlorobenzyl)piperidin-2-yl)methanamine,
AC1Q546S,
STL220292,
AKOS000210610,
AKOS016338808,
MCULE-6273060714,
NE38260,
ST45244094,
EN300-73435,
1-[1-(3-chlorobenzyl)piperidin-2-yl]methanamine,
{1-[(3-chlorophenyl)methyl]-2-piperidyl}methylamine,
Z1703026687,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.759g/mol |
| Monoisotopic Mass | 238.124g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number