| CAS Number | 82378-82-3 |
| Catalog Number | AG019UJY(AGN-PC-0NJQ8I) |
| Chemical Name | 1-[(3-Methylphenyl)methyl]piperidin-4-amine |
| IUPAC Name | 1-[(3-methylphenyl)methyl]piperidin-4-amine |
| InChI | InChI=1S/C13H20N2/c1-11-3-2-4-12(9-11)10-15-7-5-13(14)6-8-15/h2-4,9,13H,5-8,10,14H2,1H3 |
| InChI Key | DFJQENRMQNZDNL-UHFFFAOYSA-N |
| MDL Number | MFCD09044467 |
| Molecular Formula | C13H20N2 |
| Molecular Weight | 204.3113 |
| SMILES | CC1=CC(CN2CCC(N)CC2)=CC=C1 |
| Synonyms | 1-[(3-methylphenyl)methyl]piperidin-4-amine,
82378-82-3,
AC1Q2IO0,
SCHEMBL6943838,
CTK7E0122,
ZINC11729462,
AKOS000128728,
MCULE-4408124669,
NE41281,
EN300-41901,
Z1142870667,
1-(3-methylbenzyl)piperidin-4-amine,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.317g/mol |
| Monoisotopic Mass | 204.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number