3-(2-Ethylphenoxy)pyrrolidine hydrochloride
Basic information
- CAS
1185299-39-1- Standard SMILES
CCc1ccccc1OC1CCNC1.Cl- InChIKey
JDWYZLSEBPJHGR-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO
- Average molar mass
- 227.73 g/mol
- Monoisotopic mass
- 227.1076919
Names & identifiers
- Preferred name
- 3-(2-Ethylphenoxy)pyrrolidine hydrochloride
- IUPAC
- 3-(2-ethylphenoxy)pyrrolidine;hydrochloride
- English name
- 3-(2-ETHYLPHENOXY)PYRROLIDINE HYDROCHLORIDE
- Molecular formula
- C12H18ClNO
- Molecular weight
- 227.73042
Names & synonyms
3-(2-ETHYLPHENOXY)PYRROLIDINE HYDROCHLORIDE1185299-39-13-(2-ethylphenoxy)pyrrolidine;hydrochloride0359ADDTXSID801378454AKOS015846663Pyrrolidine, 3-(2-ethylphenoxy)-, hydrochloride (1:1)
Database identifiers
- CAS
1185299-39-1- PubChem CID
- 45075495
- DTXSID
DTXSID801378454
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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