Basic information
- CAS
6368-91-8- Standard SMILES
COc1cc(C#N)c(OC)cc1N.Cl- InChIKey
FBIXCDGNBBPANR-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O2
- Average molar mass
- 214.65 g/mol
- Monoisotopic mass
- 214.0509053
Names & identifiers
- Preferred name
- Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1)
- IUPAC
- 4-amino-2,5-dimethoxybenzonitrile;hydrochloride
- English name
- Benzonitrile, 4-amino-2,5-dimethoxy-, monohydrochloride
- Molecular formula
- C9H11ClN2O2
- Molecular weight
- 214.64884
Names & synonyms
Benzonitrile, 4-amino-2,5-dimethoxy-, monohydrochloride6368-91-8DTXSID4064268Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1)RefChem:118521DTXCID3044047613-318-5SCHEMBL11411334C.I. Azoic Diazo Component 40FBIXCDGNBBPANR-UHFFFAOYSA-N4-Amino-2,5-dimethoxybenzonitrile--hydrogen chloride (1/1)
Database identifiers
- CAS
6368-91-8- PubChem CID
- 80728
- DTXSID
DTXSID4064268- EC Number
- 613-318-5
Properties
Computed structural properties
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzonitrile, 4-amino-2,5-dimethoxy-, monohydrochloride (6368-91-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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