Azetidine, 3-ethyl-3-(m-methoxyphenyl)-1-methyl-
Basic information
- CAS
19832-31-6- Standard SMILES
CCC1(c2cccc(OC)c2)CN(C)C1- InChIKey
YBEDBXNUCCCITN-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- Azetidine, 3-ethyl-3-(m-methoxyphenyl)-1-methyl-
- IUPAC
- 3-ethyl-3-(3-methoxyphenyl)-1-methylazetidine
- English name
- 3-Ethyl-3-(m-methoxyphenyl)-1-methylazetidine
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
AZETIDINE, 3-ETHYL-3-(m-METHOXYPHENYL)-1-METHYL-BRN 153114719832-31-63-Ethyl-3-(m-methoxyphenyl)-1-methylazetidine5-21-02-00390 (Beilstein Handbook Reference)DTXSID20173563RefChem:320370DTXCID10960543-ethyl-3-(3-methoxyphenyl)-1-methylazetidineAzetidine, 3-ethyl-3-(3-methoxyphenyl)-1-methyl-
Database identifiers
- CAS
19832-31-6- PubChem CID
- 29818
- DTXSID
DTXSID20173563- Nikkaji
- J54.675E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 291 · 291.0±28.0 °C(Predicted)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
- pka
- 9.45 · 9.45±0.10(Predicted)
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Compound notes
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