| CAS Number | 954577-97-0 |
| Catalog Number | AG019N9U |
| Chemical Name | {2-[(benzyloxy)methyl]phenyl}methanamine |
| IUPAC Name | [2-(phenylmethoxymethyl)phenyl]methanamine |
| InChI | InChI=1S/C15H17NO/c16-10-14-8-4-5-9-15(14)12-17-11-13-6-2-1-3-7-13/h1-9H,10-12,16H2 |
| InChI Key | QSIRNNPYPDJFBS-UHFFFAOYSA-N |
| MDL Number | MFCD09739919 |
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.3016 |
| SMILES | NCC1=C(COCC2=CC=CC=C2)C=CC=C1 |
| Synonyms | {2-[(benzyloxy)methyl]phenyl}methanamine,
954577-97-0,
(2-((benzyloxy)methyl)phenyl)methanamine,
1-{2-[(benzyloxy)methyl]phenyl}methanamine,
AC1Q53S6,
CTK7E6038,
ZINC22223215,
AKOS000147417,
MCULE-3929785117,
NE14371,
EN300-39770,
Z1245580506,
(2-[(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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number