| CAS Number | 954582-86-6 |
| Catalog Number | AG019N9T |
| Chemical Name | {3-[(benzyloxy)methyl]phenyl}methanamine |
| IUPAC Name | [3-(phenylmethoxymethyl)phenyl]methanamine |
| InChI | InChI=1S/C15H17NO/c16-10-14-7-4-8-15(9-14)12-17-11-13-5-2-1-3-6-13/h1-9H,10-12,16H2 |
| InChI Key | YSCFZTBGWPBNLY-UHFFFAOYSA-N |
| MDL Number | MFCD09742739 |
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.3016 |
| SMILES | NCC1=CC(COCC2=CC=CC=C2)=CC=C1 |
| Synonyms | {3-[(benzyloxy)methyl]phenyl}methanamine,
954582-86-6,
1-{3-[(benzyloxy)methyl]phenyl}methanamine,
(3-((Benzyloxy)methyl)phenyl)methanamine,
AC1Q53V3,
CTK7E5437,
ZINC19261613,
AKOS000150044,
MCULE-8439918965,
NE62636,
EN300-39769,
Z1245580509,
(3-[(benzyloxy)methyl]phenyl)methanamine,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.307g/mol |
| Monoisotopic Mass | 227.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number