2-cyano-N-propylacetamide
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Basic information
- CAS
52493-35-3- Standard SMILES
CCCNC(=O)CC#N- InChIKey
QXWFLDZVDBAJAG-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931295
Names & identifiers
- Preferred name
- 2-cyano-N-propylacetamide
- IUPAC
- 2-cyano-N-propylacetamide
- English name
- 2-CYANO-N-PROPYLACETAMIDE
- Molecular formula
- C6H10N2O
- Molecular weight
- 126.16
Names & synonyms
2-cyano-N-propylacetamide52493-35-3DTXSID60403215RefChem:259686DTXCID90354069835-206-7MFCD02176952CHEMBL2333146ALBB-008500N-Propylcyanoacetamide2-cyano-N-propyl-acetamideN-propyl-2-cyanoacetamide
Show more names
2-cyano-N-propyl-ethanamideSCHEMBL319941Acetamide, 2-cyano-N-propyl-SCHEMBL1417237SCHEMBL1417241QXWFLDZVDBAJAG-UHFFFAOYSA-NBBL016523BDBM50428730
Database identifiers
- CAS
52493-35-3- PubChem CID
- 4429965
- DTXSID
DTXSID60403215- ChEMBL
CHEMBL2333146- EC Number
- 835-206-7
- Nikkaji
- J1.714.159G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 45 · 45-48°
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Light yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H315-H335-H302-H312-H319
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H332-H315-H335-H302-H312-H319
- Precautionary statements
- P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
4 records
Compound notes
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