3-(2-Benzylphenoxy)pyrrolidine
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Basic information
- CAS
946726-75-6- Standard SMILES
c1ccc(Cc2ccccc2OC2CCNC2)cc1- InChIKey
VHOYBFRUGXGYHH-UHFFFAOYSA-N- Molecular formula
- C17H19NO
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.14666423
Names & identifiers
- Preferred name
- 3-(2-Benzylphenoxy)pyrrolidine
- IUPAC
- 3-(2-benzylphenoxy)pyrrolidine
- English name
- 3-(2-BENZYLPHENOXY)PYRROLIDINE
- Molecular formula
- C17H19NO
- Molecular weight
- 253.34
Names & synonyms
3-(2-BENZYLPHENOXY)PYRROLIDINE946726-75-63-[2-(Phenylmethyl)phenoxy]pyrrolidineDTXSID401283328AKOS0124677093-(2-Benzylphenoxy)pyrrolidine HCl3-[2-(PHENYLMETHYL)PHENOXY]-PYRROLIDINEPyrrolidine, 3-[2-(phenylmethyl)phenoxy]-3-(2-benzylphenoxy)pyrrolidine hydrochloride
Database identifiers
- CAS
946726-75-6- PubChem CID
- 45075494
- DTXSID
DTXSID401283328
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 381.8 · 381.8±37.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.34 · 9.34±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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