| CAS Number | 343776-88-5 |
| Catalog Number | AG019MG0 |
| Chemical Name | 2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropanenitrile |
| IUPAC Name | 2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropanenitrile |
| InChI | InChI=1S/C12H16N2O/c1-14(2)9-11(8-13)12(15)10-6-4-3-5-7-10/h3-7,11-12,15H,9H2,1-2H3 |
| InChI Key | WCZVTQMRUOZDCR-UHFFFAOYSA-N |
| MDL Number | MFCD10686836 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | CN(CC(C(C1=CC=CC=C1)O)C#N)C |
| Synonyms | 2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropanenitrile,
343776-88-5,
EN300-36075,
AC1Q3WLR,
CTK7J6135,
AKOS022648050,
MCULE-8363393411,
NE29674,
NCGC00336557-01,
AB01329861-02,
Z367678500,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number