3-(3,4-Dimethylphenoxy)azetidine
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Basic information
- CAS
1219982-87-2- Standard SMILES
Cc1ccc(OC2CNC2)cc1C- InChIKey
OPLVXDQATZDFMN-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 3-(3,4-Dimethylphenoxy)azetidine
- IUPAC
- 3-(3,4-dimethylphenoxy)azetidine
- English name
- 3-(3,4-Dimethylphenoxy)azetidine
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
3-(3,4-DIMETHYLPHENOXY)AZETIDINE1219982-87-2DTXSID301303171AKOS012079996CS-0281830EN300-1849449A1-12514Azetidine, 3-(3,4-dimethylphenoxy)-
Database identifiers
- CAS
1219982-87-2- PubChem CID
- 53409264
- DTXSID
DTXSID301303171
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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