2-(2-Amino-4,5-dimethoxyphenyl)acetonitrile - CAS 50546-80-0
Catalog: |
BB054917 |
Product Name: |
2-(2-Amino-4,5-dimethoxyphenyl)acetonitrile |
CAS: |
50546-80-0 |
Synonyms: |
(2-Amino-4,5-dimethoxyphenyl)acetonitrile; 2-Amino-4,5-dimethoxybenzeneacetonitrile; 2-Amino-4,5-dimethoxyphenylacetonitrile |
IUPAC Name: | 2-(2-amino-4,5-dimethoxyphenyl)acetonitrile |
Description: | 2-(2-Amino-4,5-dimethoxyphenyl)acetonitrile |
Molecular Weight: | 192.21 |
Molecular Formula: | C10H12N2O2 |
Canonical SMILES: | COC1=C(C=C(C(=C1)CC#N)N)OC |
InChI: | InChI=1S/C10H12N2O2/c1-13-9-5-7(3-4-11)8(12)6-10(9)14-2/h5-6H,3,12H2,1-2H3 |
InChI Key: | TVRCHSIHBKEBHQ-UHFFFAOYSA-N |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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