| CAS Number | 1235438-96-6 |
| Catalog Number | AG01A7Q0 |
| Chemical Name | 2-Amino-2-(2,3-dimethoxyphenyl)acetonitrile hydrochloride |
| IUPAC Name | 2-amino-2-(2,3-dimethoxyphenyl)acetonitrile;hydrochloride |
| InChI | InChI=1S/C10H12N2O2.ClH/c1-13-9-5-3-4-7(8(12)6-11)10(9)14-2;/h3-5,8H,12H2,1-2H3;1H |
| InChI Key | JUQWFPZWKQQNAA-UHFFFAOYSA-N |
| MDL Number | MFCD14705773 |
| Molecular Formula | C10H13ClN2O2 |
| Molecular Weight | 228.6754 |
| SMILES | Cl.COC1=C(OC)C(C(C#N)N)=CC=C1 |
| Synonyms | 2-amino-2-(2,3-dimethoxyphenyl)acetonitrile hydrochloride,
1235438-96-6,
EN300-59479,
AC1Q3BZY,
CTK7C5236,
AKOS008090827,
MCULE-5879209087,
NE56390,
Z1262246202,
926246-41-5,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.676g/mol |
| Monoisotopic Mass | 228.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number