Basic information
- CAS
2223-89-4- Standard SMILES
Cc1cccc(N(CCC#N)CCN2C(=O)CCC2=O)c1- InChIKey
SQZMCALHUSFSRR-UHFFFAOYSA-N- Molecular formula
- C16H19N3O2
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.14772686
Names & identifiers
- Preferred name
- 3-((2-(2,5-Dioxopyrrolidin-1-yl)ethyl)(3-methylphenyl)amino)propiononitrile
- IUPAC
- 3-[N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylanilino]propanenitrile
- English name
- 3-[[2-(2,5-dioxopyrrolidin-1-yl)ethyl](3-methylphenyl)amino]propiononitrile
- Molecular formula
- C16H19N3O2
- Molecular weight
- 285.34
Names & synonyms
EINECS 218-742-03-[[2-(2,5-Dioxopyrrolidin-1-yl)ethyl](3-methylphenyl)amino]propiononitrilePropanenitrile, 3-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl](3-methylphenyl)amino]-DTXSID4062276Propanenitrile, 3-((2-(2,5-dioxo-1-pyrrolidinyl)ethyl)(3-methylphenyl)amino)-3-((2-(2,5-Dioxopyrrolidin-1-yl)ethyl)(3-methylphenyl)amino)propiononitrile3-[[2-(2,5-Dioxo-1-pyrrolidinyl)ethyl](3-methylphenyl)amino]propanenitrile3-((2-(2,5-Dioxo-1-pyrrolidinyl)ethyl)(3-methylphenyl)amino)propanenitrileRefChem:488203DTXCID4036647218-742-02223-89-4
Show more names
3-((2-(2,5-Dioxopyrrolidin-1-yl)ethyl)(m-tolyl)amino)propanenitrileN-(2-(N-(2-CYANOETHYL)-3-METHYLANILINO)ETHYL)SUCCINIMIDE3-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl](3-methylphenyl)amino}propanenitrileRH5K4N2KY8SQZMCALHUSFSRR-UHFFFAOYSA-NAKOS024340420NS00027106Succinimide, N-[2-[N-(2-cyanoethyl)-m-toluidino]ethyl]-
Database identifiers
- CAS
2223-89-4- PubChem CID
- 75209
- DTXSID
DTXSID4062276- UNII
- RH5K4N2KY8
- EC Number
- 218-742-0
- Nikkaji
- J299.180B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl](3-methylphenyl)amino]- (2223-89-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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, 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 38 reports by companies from 1 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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl](3-methylphenyl)amino]-: INACTIVE
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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