| CAS Number | 1197006-60-2 |
| Catalog Number | AG01AIMR(AGN-PC-0WOC4B) |
| Chemical Name | oxan-4-yl(phenyl)methanamine |
| IUPAC Name | oxan-4-yl(phenyl)methanamine |
| InChI | InChI=1S/C12H17NO/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-12H,6-9,13H2 |
| InChI Key | NZONHTNKOWGTPR-UHFFFAOYSA-N |
| MDL Number | MFCD17243742 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | C1(=CC=CC=C1)C(N)C1CCOCC1 |
| Synonyms | oxan-4-yl(phenyl)methanamine,
1197006-60-2,
Z1267885777,
phenyl(tetrahydro-2H-pyran-4-yl)methanamine,
(oxan-4-yl)(phenyl)methanamine,
SCHEMBL12789414,
NZONHTNKOWGTPR-UHFFFAOYSA-N,
AKOS012201459,
NE58802,
EN300-78380,
A1-08307,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number