Basic information
- CAS
5855-86-7- Standard SMILES
COc1cc(C#N)c(OC)cc1N- InChIKey
PFMALIJIGNRGFT-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422757
Names & identifiers
- Preferred name
- Benzonitrile, 4-amino-2,5-dimethoxy-
- IUPAC
- 4-amino-2,5-dimethoxybenzonitrile
- English name
- 4-amino-2,5-dimethoxybenzonitrile
- Molecular formula
- C9H10N2O2
- Molecular weight
- 178.19
Names & synonyms
5855-86-7Benzonitrile, 4-amino-2,5-dimethoxy-DTXSID2064028RefChem:566237DTXCID90424154-amino-2,5-dimethoxybenzonitrileSCHEMBL8777864PFMALIJIGNRGFT-UHFFFAOYSA-NDB-295111C.I.37170(base)Azoic DC 40(base)Fast Bordeaux BDC Base
Show more names
4-Cyano-2,5-dimethoxyanilineC.I.Azoic Diazo Component 40(base)4-azanyl-2,5-dimethoxy-benzenecarbonitrile
Database identifiers
- CAS
5855-86-7- PubChem CID
- 79953
- DTXSID
DTXSID2064028- Nikkaji
- J218.147I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzonitrile, 4-amino-2,5-dimethoxy- (5855-86-7)
- 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-: INACTIVE
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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