Basic information
- CAS
23877-68-1- Standard SMILES
Oc1ccc(OCCN2CCCC2)cc1- InChIKey
XSEFULQLNFBAGY-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 4-[2-(Pyrrolidin-1-yl)ethoxy]phenol
- IUPAC
- 4-(2-pyrrolidin-1-ylethoxy)phenol
- English name
- Phenol , 4-[2-(1-pyrolidinyl)ethoxy]-(9Ci)
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
23877-68-14-[2-(pyrrolidin-1-yl)ethoxy]phenolPhenol, 4-[2-(1-pyrrolidinyl)ethoxy]-4-(2-pyrrolidin-1-ylethoxy)phenolPHENOL , 4-[2-(1-PYROLIDINYL)ETHOXY]-(9CI)4-(2-(pyrrolidin-1-yl)ethoxy)phenolSCHEMBL2475993XSEFULQLNFBAGY-UHFFFAOYSA-NDTXSID001298446YAA877684-[2-(1-Pyrrolidinyl)ethoxy]phenolCS-0238891
Show more names
4-(2-pyrrolidin-4-ylethoxy)phenol
EN300-2017485Z381414662
Database identifiers
- CAS
23877-68-1- PubChem CID
- 13576239
- DTXSID
DTXSID001298446
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 111 · 111-114 °C
- Boiling point
- 357.9 · 357.9±22.0 °C(Predicted)
- Density
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- pka
- 10.28 · 10.28±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
5 records
Compound notes
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