4-(2-cyanoacetamido)-N,N-dimethylbenzamide
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Basic information
- CAS
747411-53-6- Standard SMILES
CN(C)C(=O)c1ccc(NC(=O)CC#N)cc1- InChIKey
YDQAREMCYDXCBC-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- 4-(2-cyanoacetamido)-N,N-dimethylbenzamide
- IUPAC
- 4-[(2-cyanoacetyl)amino]-N,N-dimethylbenzamide
- English name
- 4-[(CYANOACETYL)AMINO]-N,N-DIMETHYLBENZAMIDE
- Molecular formula
- C12H13N3O2
- Molecular weight
- 231.25
Names & synonyms
4-(2-cyanoacetamido)-N,N-dimethylbenzamide747411-53-6RefChem:512389997-962-54-[(cyanoacetyl)amino]-N,N-dimethylbenzamide4-[(2-cyanoacetyl)amino]-N,N-dimethylbenzamideMFCD05270918AKOS027427131NCGC00334814-01SY137164CS-0221596EN300-09556
Show more names
Benzamide, 4-[(2-cyanoacetyl)amino]-N,N-dimethyl-
G30360AB01327496-024-[(2-cyanoacetyl)amino]-N,N-dimethyl-benzamideF644109Z32014149
Database identifiers
- CAS
747411-53-6- PubChem CID
- 2104076
- EC Number
- 997-962-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 521 · 521.0±35.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 4.89 · 4.89±0.10(Predicted)
- form
- solid
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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