Basic information
- CAS
54240-96-9- Standard SMILES
COc1ccc(C(=O)N(CC#N)CC#N)cc1- InChIKey
AMTRVAQRJIKPLH-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.0851266
Names & identifiers
- Preferred name
- N,N-bis(cyanomethyl)-4-methoxybenzamide
- IUPAC
- N,N-bis(cyanomethyl)-4-methoxybenzamide
- English name
- N,N-bis(cyanomethyl)-4-(methyloxy)benzamide
- Molecular formula
- C12H11N3O2
- Molecular weight
- 229.23
Names & synonyms
N,N-bis(cyanomethyl)-4-methoxybenzamideTimTec1_001024Oprea1_107836Oprea1_311070HMS1536O12STK086944AKOS003266099NCGC00174874-01ST010662N,N-bis(cyanomethyl)-4-(methyloxy)benzamideN,N-bis(cyanomethyl)(4-methoxyphenyl)carboxamideAG-690/11634064
Show more names
Benzamide, N,N-bis(cyanomethyl)-4-methoxy-
SR-01000358543SR-01000358543-1BRD-K29205888-001-01-2
Database identifiers
- CAS
54240-96-9- PubChem CID
- 710643
- EC Number
- 170-109-7
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 484 · 484.0±40.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- -2.07 · -2.07±0.70(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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