| CAS Number | 639792-18-0 |
| Catalog Number | AG00ENV1(AGN-PC-0TASPX) |
| Chemical Name | 2-Amino-2-(2-methoxyphenyl)acetonitrile hydrochloride |
| IUPAC Name | 2-amino-2-(2-methoxyphenyl)acetonitrile;hydrochloride |
| InChI | InChI=1S/C9H10N2O.ClH/c1-12-9-5-3-2-4-7(9)8(11)6-10;/h2-5,8H,11H2,1H3;1H |
| InChI Key | YNZQFBSMMIZNIN-UHFFFAOYSA-N |
| MDL Number | MFCD17167180 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | Cl.COC1=C(C(C#N)N)C=CC=C1 |
| Synonyms | 2-amino-2-(2-methoxyphenyl)acetonitrile hydrochloride,
639792-18-0,
EN300-68547,
AC1Q3BYW,
CTK8B5132,
DTXSID70679080,
ANW-47705,
AKOS015919762,
MCULE-2099075748,
BR-79601,
DA-17794,
AX8225430,
TC-136450,
ST24021939,
W7577,
S-4712,
Z1263602439,
Amino(2-methoxyphenyl)acetonitrile--hydrogen chloride (1/1),
C9H11ClN2O,
2-Amino-2-(2-methoxyphenyl)acetonitrilehydrochloride,
96929-45-2,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number