Basic information
- CAS
20926-04-9- Standard SMILES
CN(C)c1cccc(N(C)C)c1C#N- InChIKey
ACOQDKIUGAKZTC-UHFFFAOYSA-N- Molecular formula
- C11H15N3
- Average molar mass
- 189.26 g/mol
- Monoisotopic mass
- 189.12659749
Names & identifiers
- Preferred name
- 2,6-Bis(dimethylamino)benzonitrile
- IUPAC
- 2,6-bis(dimethylamino)benzonitrile
- English name
- 2,6-DI(DIMETHYLAMINO)BENZONITRILE
- Molecular formula
- C11H15N3
- Molecular weight
- 189.26
Names & synonyms
2,6-bis(dimethylamino)benzonitrile20926-04-9Benzonitrile, 2,6-bis(dimethylamino)-2,6-Di(dimethylamino)benzonitrileMaybridge1_003265orb3029939SCHEMBL5191120HMS550M09DTXSID60380335Fr14581AKOS005264956DB-004174
Database identifiers
- CAS
20926-04-9- PubChem CID
- 2777022
- DTXSID
DTXSID60380335
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 71 · 71-73°C
- Boiling point
- 346.7 · 346.7±37.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 3.11 · 3.11±0.28(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-43
- Safety Statements
- 26 · 26-36/37/39-36/37
- RIDADR
- 3276 · 3276
- Hazard Note
- Harmful
- HS Code
- 2926907090 · 2926907090
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
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38-43
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26-36/37/39-36/37
Chemistry & industry
Suppliers2 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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