Basic information
- CAS
5044-19-9- Standard SMILES
CCn1c(C)ccc1C- InChIKey
WIXUFIYVGRNTDD-UHFFFAOYSA-N- Molecular formula
- C8H13N
- Average molar mass
- 123.2 g/mol
- Monoisotopic mass
- 123.10479942
Names & identifiers
- Preferred name
- 1H-Pyrrole, 1-ethyl-2,5-dimethyl-
- IUPAC
- 1-ethyl-2,5-dimethylpyrrole
- English name
- 1-ethyl-2,5-dimethyl-1H-pyrrole
- Molecular formula
- C8H13N
- Molecular weight
- 123.19552
Names & synonyms
1-Ethyl-2,5-dimethyl-1H-pyrrole1H-Pyrrole, 1-ethyl-2,5-dimethyl-5044-19-9EINECS 225-738-2DTXSID2063688RefChem:439164DTXCID9040841225-738-22,5-dimethyl-1-ethylpyrroleSCHEMBL6760708SCHEMBL7331656Pyrrole, 1-ethyl-2,5-dimethyl
Show more names
1-ethyl-2,5-dimethylpyrrole
AKOS000101147NS00044563InChI=1/C8H13N/c1-4-9-7(2)5-6-8(9)3/h5-6H,4H2,1-3H
Database identifiers
- CAS
5044-19-9- PubChem CID
- 78741
- DTXSID
DTXSID2063688- EC Number
- 225-738-2
- Nikkaji
- J203.267H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Physicochemical properties
- EPA Substance Registry System
- 1 H-Pyrrole, · 1H-Pyrrole, 1-ethyl-2,5-dimethyl- (5044-19-9)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrrole, 1-ethyl-2,5-dimethyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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