Basic information
- CAS
1891-11-8- Standard SMILES
COc1ccc(CC#N)c(OC)c1- InChIKey
RWELXDIUDWWGKU-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 2-(2,4-Dimethoxyphenyl)acetonitrile
- IUPAC
- 2-(2,4-dimethoxyphenyl)acetonitrile
- English name
- 2-(2,4-Dimethoxyphenyl)acetonitrile
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
2-(2,4-dimethoxyphenyl)acetonitrile1891-11-8MFCD021135742,4-DimethoxyphenylacetonitrileNSC269437SCHEMBL1237860SCHEMBL78689982,4-dimethoxyphenyl-acetonitrileDTXSID60313365(2,4-dimethoxyphenyl)acetonitrile2,4-Dimethoxy-benzeneacetonitrileAC5011
Show more names
2,4-Dimethoxybenzyl cyanideBenzeneacetonitrile, 2,4-dimethoxy-
AKOS006277723NSC-2694372-(2,4-dimethoxy-phenyl)-acetonitrileSY045102CS-0103696EN300-1847081
Database identifiers
- CAS
1891-11-8- PubChem CID
- 320754
- DTXSID
DTXSID60313365- Nikkaji
- J955.767I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 76 °C · 76 °C
- Boiling point
- 304.1 · 304.1±27.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
河北朵放科技有限公司13127301785 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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