1-Propyl-1H-pyrrole-2,5-dione
Basic information
- CAS
21746-40-7- Standard SMILES
CCCN1C(=O)C=CC1=O- InChIKey
DABFKTHTXOELJF-UHFFFAOYSA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
- Monoisotopic mass
- 139.06332853
Names & identifiers
- Preferred name
- 1-Propyl-1H-pyrrole-2,5-dione
- IUPAC
- 1-propylpyrrole-2,5-dione
- English name
- N-Propylmaleimide
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15
Names & synonyms
21746-40-71-Propyl-1H-pyrrole-2,5-dioneN-PropylmaleimideDTXSID50176143EINECS 244-564-8RefChem:436453DTXCID5098634244-564-81-propylpyrrole-2,5-dioneN-(n-propyl)maleimiden-Propyl maleimideN-n-Propylmaleimide
Show more names
N-PropylmaleinimideN-PROPYLAMALEIMIDE, 95%1-propyl-3-pyrroline-2,5-quinone
1-propyl-2,5-dihydro-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-propyl-N-Propylmaleimide, 95%MFCD00014541SCHEMBL151770AKOS000249447LS-09538D95963
Database identifiers
- CAS
21746-40-7、26714-88-5- PubChem CID
- 89033
- DTXSID
DTXSID50176143- ChEMBL
CHEMBL1774756- UNII
- YU2PGR5GLW
- EC Number
- 244-564-8
- Nikkaji
- J225.432H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 24 · 24-26°C
- Boiling point
- 97 °C18 · 97 °C18 mm Hg(lit.)
- Density
- 1.112 g/mL · 1.112 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4760(lit.)
- Flash point
- 138 °F · 138 °F
- storage temp.
- 2 · 2-8°C
- pka
- -2.18 · -2.18±0.20(Predicted)
- Specific Gravity
- 1.112 · 1.112
- Appearance
- Colorless to off-white Solid
- Water Solubility
- Insoluble in water.
- BRN
- 1525008 · 1525008
- InChI
- InChI=1S/C7H9NO2/c1-2-5-8-6(9)3-4-7(8)10/h3-4H,2,5H2,1H3
- InChIKey
- DABFKTHTXOELJF-UHFFFAOYSA-N
- SMILES
- N1(CCC)C(=O)C=CC1=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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
H226 (90.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 CategoriesFlam. Liq. 3 (90.7%)
Safety data
- F
- 10-19-21
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- risk_code
- 20/21/22-36/37/38-43-22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 16-36/37
- hazard_class
- 6.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302-H317
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 3Skin Sens. 1
- Precautionary statements
- P210-P280-P301+P312+P330-P302+P352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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