| CAS Number | 889889-08-1 |
| Catalog Number | AG00J6BO(AGN-PC-04FYJA) |
| Chemical Name | {1-[(4-Methylphenyl)methyl]piperidin-4-yl}methanamine |
| IUPAC Name | [1-[(4-methylphenyl)methyl]piperidin-4-yl]methanamine |
| InChI | InChI=1S/C14H22N2/c1-12-2-4-14(5-3-12)11-16-8-6-13(10-15)7-9-16/h2-5,13H,6-11,15H2,1H3 |
| InChI Key | JHJSPOWOZORBLM-UHFFFAOYSA-N |
| MDL Number | MFCD07365304 |
| Molecular Formula | C14H22N2 |
| Molecular Weight | 218.3379 |
| SMILES | CC1=CC=C(CN2CCC(CN)CC2)C=C1 |
| Synonyms | 889889-08-1,
{1-[(4-methylphenyl)methyl]piperidin-4-yl}methanamine,
[1-(4-methylbenzyl)piperidin-4-yl]methylamine,
SCHEMBL14398343,
ALBB-021063,
ZINC11888996,
AKOS000210667,
MCULE-9176664232,
NCGC00326465-01,
[1-(4-methylbenzyl)-4-piperidyl]methanamine,
EN300-71595,
AB01321067-02,
{[1-(4-Methylbenzyl)piperidin-4-yl]methyl}amine,
1-[1-(4-methylbenzyl)piperidin-4-yl]methanamine,
A1-15599,
Z234897517,
AC1Q2LZR,
AJ-60353,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.178299g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.34g/mol |
| Monoisotopic Mass | 218.178299g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number