Basic information
- CAS
3614-74-2- Standard SMILES
c1ccc2c(c1)OCC(CN1CCCC1)O2- InChIKey
DZRUWBABCQULJK-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine
Names & synonyms
3614-74-21-(1,4-Benzodioxan-2-ylmethyl)pyrrolidinePyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-Pyrrolidine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-RefChem:377926Pyrrolidine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-(9CI)1-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)pyrrolidineBD 3Oprea1_154555SCHEMBL1043927SCHEMBL14454754DTXSID30957558
Show more names
1-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]pyrrolidine
Database identifiers
- CAS
3614-74-2- PubChem CID
- 199015
- DTXSID
DTXSID30957558
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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