| CAS Number | 927998-28-5 |
| Catalog Number | AG00VS2G(AGN-PC-0WBL2G) |
| Chemical Name | (4-(2-Methoxyphenyl)tetrahydro-2H-pyran-4-yl)methanamine |
| IUPAC Name | [4-(2-methoxyphenyl)oxan-4-yl]methanamine |
| InChI | InChI=1S/C13H19NO2/c1-15-12-5-3-2-4-11(12)13(10-14)6-8-16-9-7-13/h2-5H,6-10,14H2,1H3 |
| InChI Key | YVEFLGKUJCGDRZ-UHFFFAOYSA-N |
| MDL Number | MFCD09261732 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | COC1=C(C2(CCOCC2)CN)C=CC=C1 |
| Synonyms | 927998-28-5,
[4-(2-methoxyphenyl)oxan-4-yl]methanamine,
F2189-0455,
(4-(2-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methanamine,
[4-(2-Methoxyphenyl)tetrahydro-2H-pyran-4-yl]methylamine,
AC1Q450J,
4-(Aminomethyl)-4-(2-methoxyphenyl)tetrahydro-2H-pyran,
DTXSID00586435,
MFCD09261732,
ZINC11848934,
AKOS002671482,
KS-7317,
MCULE-7760033828,
EN300-54272,
1-[4-(2-Methoxyphenyl)oxan-4-yl]methanamine,
{[4-(2-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}amine,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.3g/mol |
| Monoisotopic Mass | 221.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number