| CAS Number | 348143-69-1 |
| Catalog Number | AG019N64 |
| Chemical Name | 2-Amino-2-(3,4,5-trimethoxyphenyl)acetonitrile hydrochloride |
| IUPAC Name | 2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile;hydrochloride |
| InChI | InChI=1S/C11H14N2O3.ClH/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3;/h4-5,8H,13H2,1-3H3;1H |
| InChI Key | VATMLOCTTPDXIG-UHFFFAOYSA-N |
| MDL Number | MFCD11505455 |
| Molecular Formula | C11H15ClN2O3 |
| Molecular Weight | 258.7014 |
| SMILES | Cl.COC1=C(OC)C(OC)=CC(C(C#N)N)=C1 |
| Synonyms | 2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile hydrochloride,
348143-69-1,
amino(3,4,5-trimethoxyphenyl)acetonitrile hydrochloride,
EN300-39495,
AC1Q3C1A,
SCHEMBL5742931,
CTK7C5036,
AKOS016901640,
MCULE-8758611705,
NE46156,
Z398513562,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.702g/mol |
| Monoisotopic Mass | 258.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number