| CAS Number | 1152529-22-0 |
| Catalog Number | AG019ZKB |
| Chemical Name | 2-benzyl-1,3-benzoxazol-6-amine |
| IUPAC Name | 2-benzyl-1,3-benzoxazol-6-amine |
| InChI | InChI=1S/C14H12N2O/c15-11-6-7-12-13(9-11)17-14(16-12)8-10-4-2-1-3-5-10/h1-7,9H,8,15H2 |
| InChI Key | MYJXYQISQKRASX-UHFFFAOYSA-N |
| MDL Number | MFCD10694862 |
| Molecular Formula | C14H12N2O |
| Molecular Weight | 224.2579 |
| SMILES | NC1=CC2=C(N=C(O2)CC2=CC=CC=C2)C=C1 |
| Synonyms | 2-benzyl-1,3-benzoxazol-6-amine,
1152529-22-0,
ZINC31899450,
AKOS005206183,
MCULE-6596403383,
NE26273,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.263g/mol |
| Monoisotopic Mass | 224.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number