Basic information
- CAS
61450-42-8- Standard SMILES
CNCC1CN(C2c3ccccc3CCc3ccccc32)C1- InChIKey
CDVZCMUXAWBBTO-UHFFFAOYSA-N- Molecular formula
- C20H24N2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.19394877
Names & identifiers
- Preferred name
- Azetidine, 1-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-3-(methylamino)methylene-
- IUPAC
- N-methyl-1-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]methanamine
- English name
- [1-[10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl]-3-azetidinyl]methyl-N-methylamine
- Molecular formula
- C20H24N2
- Molecular weight
- 292.42
Names & synonyms
BRN 048979861450-42-8Azetidine, 1-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-3-(methylamino)methylene-DTXSID002104001-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-3-(methylamino)methyleneazetidineRefChem:320318DTXCID60132891CHEMBL3230888DB-3223091-[1-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)azetidin-3-yl]-N-methylmethanamine[1-[10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL ]-3-AZETIDINYL ]METHYL-N-METHYLAMINE3-Azetidinemethanamine, 1-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-N-methyl-
Show more names
[1-[10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl]-3-azetidinyl]methyl-N-methylamine
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 396.1 · 396.1±37.0 °C(Predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- pka
- 10.23 · 10.23±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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