Basic information
- CAS
67011-36-3- Standard SMILES
CC(C1COc2ccccc2O1)N1CCCC1- InChIKey
KAXULGXUSBBIMN-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Names & identifiers
- Preferred name
- 1,4-Benzodioxan, 2-(1-(1-pyrrolidinyl)ethyl)-
- IUPAC
- 1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyrrolidine
- English name
- 2-[1-(1-Pyrrolidinyl)ethyl]-1,4-benzodioxane
- Molecular formula
- C14H19NO2
- Molecular weight
- 233.31
Names & synonyms
67011-36-3BRN 13825512-(1-Pyrrolidinoethyl)-1,4-benzodioxane5-20-01-00495 (Beilstein Handbook Reference)1,4-BENZODIOXAN, 2-(1-(1-PYRROLIDINYL)ETHYL)-RefChem:220064DTXSID609858491-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]pyrrolidine2-[1-(1-Pyrrolidinyl)ethyl]-1,4-benzodioxanePyrrolidine, 1-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-
Database identifiers
- CAS
67011-36-3- PubChem CID
- 48843
- DTXSID
DTXSID60985849- Nikkaji
- J71.457G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 323.2 · 323.2±21.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…