| CAS Number | 13591-17-8 |
| Catalog Number | AG01EJGL |
| Chemical Name | (1,3-benzoxazol-2-yl)(phenyl)methanamine |
| IUPAC Name | 1,3-benzoxazol-2-yl(phenyl)methanamine |
| InChI | InChI=1S/C14H12N2O/c15-13(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)17-14/h1-9,13H,15H2 |
| InChI Key | FGVNWEYDFMDJSJ-UHFFFAOYSA-N |
| MDL Number | MFCD10689414 |
| Molecular Formula | C14H12N2O |
| Molecular Weight | 224.2579 |
| SMILES | NC(C1=CC=CC=C1)C1OC2=C(C=CC=C2)N=1 |
| Synonyms | 2-(alpha-aminobenzyl) benzoxazole,
AKOS009234531,
1,3-benzoxazol-2-yl(phenyl)methanamine,
13591-17-8,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number