3-[(2-Isopropyl-5-methylphenoxy)methyl]-pyrrolidine hydrochloride
Basic information
- CAS
1220019-31-7- Standard SMILES
Cc1ccc(C(C)C)c(OCC2CCNC2)c1.Cl- InChIKey
RXRRAYFVLULCHW-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO
- Average molar mass
- 269.81 g/mol
- Monoisotopic mass
- 269.1546421
Names & identifiers
- Preferred name
- 3-[(2-Isopropyl-5-methylphenoxy)methyl]-pyrrolidine hydrochloride
- IUPAC
- 3-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyrrolidine;hydrochloride
- English name
- 3-[(2-Isopropyl-5-methylphenoxy)methyl]-pyrrolidine hydrochloride
- Molecular formula
- C15H24ClNO
- Molecular weight
- 269.81
Names & synonyms
1220019-31-73-[(2-ISOPROPYL-5-METHYLPHENOXY)METHYL]-PYRROLIDINE HYDROCHLORIDE3-((2-Isopropyl-5-methylphenoxy)methyl)pyrrolidine hydrochloride3-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyrrolidine;hydrochlorideAKOS0158472943-((2-Isopropyl-5-methylphenoxy)methyl)pyrrolidinehydrochloride
Database identifiers
- CAS
1220019-31-7- PubChem CID
- 53409403
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- 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_class
- IRRITANT
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Related reactions
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Compound notes
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