o-Anisidino-acetonitrile
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Basic information
- CAS
28354-25-8- Standard SMILES
COc1ccccc1NCC#N- InChIKey
YLHGOLRGUDDMDW-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- o-Anisidino-acetonitrile
- IUPAC
- 2-(2-methoxyanilino)acetonitrile
- English name
- o-Anisidinoacetonitrile
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
ACETONITRILE, o-ANISIDINO-28354-25-8O-Anisidino-AcetonitrileP6O8BG8HGNNSC 406187BRN 2719761Acetonitrile, ((2-methoxyphenyl)amino)-AI3-02824UNII-P6O8BG8HGNNSC-4061872-((2-methoxyphenyl)amino)acetonitrileDTXSID20182599
Show more names
Acetonitrile, 2-[(2-methoxyphenyl)amino]-
4-13-00-00856 (Beilstein Handbook Reference)ACETONITRILE, 2-((2-METHOXYPHENYL)AMINO)-RefChem:202355DTXCID10105090o-Anisidinoacetonitrile2-(2-methoxyanilino)acetonitrileNSC406187(2-Methoxyanilino)acetonitrile
Database identifiers
- CAS
28354-25-8- PubChem CID
- 34227
- DTXSID
DTXSID20182599- UNII
- P6O8BG8HGN
- Nikkaji
- J74.816A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
LogP1.3
Physicochemical properties
- Melting point
- 75 °C · 75 °C
- Boiling point
- 316 · 316.0±22.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 1.3 · 1.30±0.50(Predicted)
- FDA UNII
- 6 O8BG8HGN · P6O8BG8HGN
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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