| CAS Number | 847861-96-5 |
| Catalog Number | AG01C2Z1(AGN-PC-009AL4) |
| Chemical Name | [5-(Dimethylamino)naphthalen-1-yl]boronic acid |
| IUPAC Name | [5-(dimethylamino)naphthalen-1-yl]boronic acid |
| InChI | InChI=1S/C12H14BNO2/c1-14(2)12-8-4-5-9-10(12)6-3-7-11(9)13(15)16/h3-8,15-16H,1-2H3 |
| InChI Key | SAYNXCVNUHTVEG-UHFFFAOYSA-N |
| MDL Number | MFCD28976963 |
| Molecular Formula | C12H14BNO2 |
| Molecular Weight | 215.0561 |
| SMILES | CN(C1=CC=CC2=C(B(O)O)C=CC=C12)C |
| Synonyms | [5-(dimethylamino)naphthalen-1-yl]boronic acid,
847861-96-5,
SCHEMBL1580259,
5-dimethylaminonaphthaleneboronic acid,
ZINC195941224,
5-(Dimethylamino)-1-naphthylboranic acid,
CID11447227,
(5-dimethylaminonaphthalen-1-yl)boronic Acid,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.059g/mol |
| Monoisotopic Mass | 215.112g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number