Pyrrolidine, 1-(2-ethoxy-5-methyl-4-nitrophenyl)-
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Basic information
- CAS
68052-15-3- Standard SMILES
CCOc1cc([N+](=O)[O-])c(C)cc1N1CCCC1- InChIKey
HCYYDULELNWPEC-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(2-ethoxy-5-methyl-4-nitrophenyl)-
- IUPAC
- 1-(2-ethoxy-5-methyl-4-nitrophenyl)pyrrolidine
- English name
- 1-(2-ethoxy-5-methyl-4-nitrophenyl)pyrrolidine
- Molecular formula
- C13H18N2O3
- Molecular weight
- 250.29
Names & synonyms
1-(2-Ethoxy-5-methyl-4-nitrophenyl)pyrrolidinePyrrolidine, 1-(2-ethoxy-5-methyl-4-nitrophenyl)-EINECS 268-309-5N-(2-Ethoxy-5-methyl-4-nitrophenyl)pyrrolidineDTXSID2071029RefChem:177911DTXCID0045462268-309-568052-15-3CAS64JF983HCYYDULELNWPEC-UHFFFAOYSA-NNS00036377
Database identifiers
- CAS
68052-15-3- PubChem CID
- 106471
- DTXSID
DTXSID2071029- UNII
- CAS64JF983
- EC Number
- 268-309-5
- Nikkaji
- J288.986B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- EPA Substance Registry System
- 1 · Pyrrolidine, 1-(2-ethoxy-5-methyl-4-nitrophenyl)- (68052-15-3)
- 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 InformationPyrrolidine, 1-(2-ethoxy-5-methyl-4-nitrophenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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