| CAS Number | 13062-58-3 |
| Catalog Number | AG009JMF(AGN-PC-0WBO12) |
| Chemical Name | Norepinephrine Tartrate Impurity G |
| IUPAC Name | 2-(dibenzylamino)-1-(3,4-dihydroxyphenyl)ethanone |
| InChI | InChI=1S/C22H21NO3/c24-20-12-11-19(13-21(20)25)22(26)16-23(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,24-25H,14-16H2 |
| InChI Key | BPZKRRFHEZSIFP-UHFFFAOYSA-N |
| Molecular Formula | C22H21NO3 |
| Molecular Weight | 347.4070 |
| SMILES | O=C(C1=CC=C(O)C(O)=C1)CN(CC=2C=CC=CC2)CC=3C=CC=CC3 |
| Synonyms | 2-(dibenzylamino)-1-(3,4-dihydroxyphenyl)ethanone,
13062-58-3,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.152144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.4g/mol |
| Monoisotopic Mass | 347.152144g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 60.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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