1-(Cyanoacetyl)pyrrolidine
Basic information
- CAS
14227-95-3- Standard SMILES
N#CCC(=O)N1CCCC1- InChIKey
VEUDVNNBYYRZBV-UHFFFAOYSA-N- Molecular formula
- C7H10N2O
- Average molar mass
- 138.17 g/mol
- Monoisotopic mass
- 138.07931295
Names & identifiers
- Preferred name
- 1-(Cyanoacetyl)pyrrolidine
- IUPAC
- 3-oxo-3-pyrrolidin-1-ylpropanenitrile
- English name
- N-CYANOACETYLPYRROLIDINE
- Molecular formula
- C7H10N2O
- Molecular weight
- 138.17
Names & synonyms
1-(Cyanoacetyl)pyrrolidineEINECS 238-096-3DTXSID90161992NSC 102766RefChem:427515DTXCID5084483238-096-314227-95-33-oxo-3-(pyrrolidin-1-yl)propanenitrileN-Cyanoacetylpyrrolidine3-oxo-3-pyrrolidin-1-ylpropanenitrile3-Oxo-3-(1-pyrrolidinyl)propanenitrile
Show more names
AKOS BBS-00006372RARECHEM BG FB 00991-(Cyanoacetyl)pyrrolidine, 98+%b-Oxo-1-pyrrolidinepropanenitrile1-Pyrrolidinepropanenitrile, β-oxo-3-oxo-3-pyrrolidin-1-yl-propionitrile
1-CyanoacetylpyrrolidinePyrrolidine, 1-(cyanoacetyl)-MFCD000208381-Pyrrolidinepropanenitrile, beta-oxo-496AA3P97BNSC-1027663-oxo-3-pyrrolidinylpropanenitrile1-Pyrrolidinepropanenitrile,b-oxo-
Database identifiers
- CAS
14227-95-3- PubChem CID
- 84272
- DTXSID
DTXSID90161992- UNII
- 496AA3P97B
- EC Number
- 238-096-3
- Nikkaji
- J81.735J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 73 · 73-74°C
- storage temp.
- Store at room temperature
- Appearance
- Off-white to pink Solid
- BRN
- 637151 · 637151
- CAS DataBase Reference
- 14227 · 14227-95-3(CAS DataBase Reference)
- FDA UNII
- 496 AA3P97B · 496AA3P97B
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 23 · 23-36/37/39
- RIDADR
- 3276 · 3276
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 2933790090 · 2933790090
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)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 3276
- hs_code
- 2933790090
- risk_code
- 20/21/22
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
2 records
Compound notes
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