2-Pyrrolidineethanol
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Basic information
- CAS
19432-88-3- Standard SMILES
OCCC1CCCN1- InChIKey
JZXVADSBLRIAIB-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- 2-Pyrrolidineethanol
- IUPAC
- 2-pyrrolidin-2-ylethanol
- English name
- pyrrolidine-2-ethanol
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
19432-88-32-pyrrolidineethanolPyrrolidine-2-ethanolRefChem:1064694243-055-82-(pyrrolidin-2-yl)ethanol2-Pyrrolidin-2-yl-ethanol2-pyrrolidin-2-ylethanol2-(PYRROLIDIN-2-YL)ETHAN-1-OLMFCD000449082-(2-Hydroxyethyl)pyrrolidineEINECS 243-055-8
Show more names
rac 2-(2-Hydroxyethyl)-pyrrolidine2-pyrrolidin-2-ylethanol(SALTDATA: FREE)Flumetasone Pivalate Impurity 2 (Flumetasone Pivalate EP Impurity B)
2-[(2S)-pyrrolidin-2-yl]ethan-1-olSCHEMBL197630SCHEMBL1976312-(Pyrrolidin-2-yl);ethanolSCHEMBL21025472-Pyrrolidin-2-yl-ethanol HClCHEMBL4576803SCHEMBL27665944
Database identifiers
- CAS
19432-88-3- PubChem CID
- 86873
- DTXSID
DTXSID20941163- ChEMBL
CHEMBL4576803- EC Number
- 243-055-8
- Nikkaji
- J242.813J
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65
Physicochemical properties
- Boiling point
- 678 · 678-680 °C(Press: 0.03 Torr)
- Density
- 1.0117 g/cm3 · 1.0117 g/cm3
- storage temp.
- 2 · 2-8°C
- pka
- 15.03 · 15.03±0.10(Predicted)
- InChI
- InChI=1S/C6H13NO/c8-5-3-6-2-1-4-7-6/h6-8H,1-5H2
- InChIKey
- JZXVADSBLRIAIB-UHFFFAOYSA-N
- SMILES
- N1CCCC1CCO
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Pyrrolidin-2-yl-ethanol can be used as inhibitor of c-Kit kinase to treat cancer.
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Related reactions
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Compound notes
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