2-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyrrolidine
Basic information
- CAS
524674-08-6- Standard SMILES
c1cc2c(cc1C1CCCN1)OCCO2- InChIKey
LSNPFVDQLTUQCE-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyrrolidine
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
- English name
- 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrrolidine
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine524674-08-6DTXSID50402459RefChem:250056DTXCID30353314899-882-52-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrrolidineMFCD04966886SCHEMBL19580706ZVA67408XH0970AKOS001476295
Show more names
Pyrrolidine, 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-
SY139439VS-07116DB-071533CS-0205957EN300-11186N12431F635813Z57036344
Database identifiers
- CAS
524674-08-6- PubChem CID
- 4368147
- DTXSID
DTXSID50402459- EC Number
- 899-882-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 318.7 · 318.7±42.0 °C(Predicted)
- Density
- 1.154 · 1.154
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 9.97 · 9.97±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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