3-(3-Nitrophenoxy)pyrrolidine
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Basic information
- CAS
946727-05-5- Standard SMILES
O=[N+]([O-])c1cccc(OC2CCNC2)c1- InChIKey
SRLOKZSYXKQYDZ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479225
Names & identifiers
- Preferred name
- 3-(3-Nitrophenoxy)pyrrolidine
- IUPAC
- 3-(3-nitrophenoxy)pyrrolidine
- English name
- 3-(3-NITROPHENOXY)PYRROLIDINE
- Molecular formula
- C10H12N2O3
- Molecular weight
- 208.21
Names & synonyms
3-(3-NITROPHENOXY)PYRROLIDINE946727-05-5AKOS006049192CS-0458162EN300-1859003Reaxys ID: 26588286Pyrrolidine, 3-(3-nitrophenoxy)-
Database identifiers
- CAS
946727-05-5- PubChem CID
- 24902330
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 358.1 · 358.1±32.0 °C(Predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- pka
- 9.14 · 9.14±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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