Basic information
- CAS
23873-66-7- Standard SMILES
CN(CCC#N)C(=O)c1ccccc1- InChIKey
QXPKZNLNDCZYPI-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.094963
Names & identifiers
- Preferred name
- N-(2-Cyanoethyl)-N-methylbenzamide
- IUPAC
- N-(2-cyanoethyl)-N-methylbenzamide
- English name
- N-(2-cyanoethyl)-N-methylbenzamide
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
N-(2-Cyanoethyl)-N-methylbenzamide23873-66-7MFCD01598841SCHEMBL2901805SCHEMBL4351971DTXSID70543373N-(2-cyanoethyl)-N-methyl-benzamideAKOS000208504AS-61986SY126204W12630Benzamide, N-(2-cyanoethyl)-N-methyl-
Show more names
N-(2-cyanoethyl)-N-methylbenzamide(WXC04256)
Database identifiers
- CAS
23873-66-7- PubChem CID
- 13544744
- DTXSID
DTXSID70543373
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 376.5 · 376.5±25.0 °C(Predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- pka
- -1.44 · -1.44±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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