| CAS Number | 926209-68-9 |
| Catalog Number | AG019U9X |
| Chemical Name | {2-[(3-methylpiperidin-1-yl)methyl]phenyl}methanamine |
| IUPAC Name | [2-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine |
| InChI | InChI=1S/C14H22N2/c1-12-5-4-8-16(10-12)11-14-7-3-2-6-13(14)9-15/h2-3,6-7,12H,4-5,8-11,15H2,1H3 |
| InChI Key | IVLIBJFMPDKULN-UHFFFAOYSA-N |
| MDL Number | MFCD08443442 |
| Molecular Formula | C14H22N2 |
| Molecular Weight | 218.3379 |
| SMILES | CC1CCCN(C1)CC2=CC=CC=C2CN |
| Synonyms | {2-[(3-methylpiperidin-1-yl)methyl]phenyl}methanamine,
926209-68-9,
1-(2-[(3-Methylpiperidin-1-yl)methyl]phenyl)methanamine,
1-{2-[(3-methylpiperidin-1-yl)methyl]phenyl}methanamine,
(2-((3-methylpiperidin-1-yl)methyl)phenyl)methanamine,
AC1Q2R5J,
CTK7E5974,
AKOS000126371,
AKOS022370158,
MCULE-6523518648,
EN300-41041,
Z228584554,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.344g/mol |
| Monoisotopic Mass | 218.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number