Azetidine, 1-(dibenzo(a,e)cyclopropa(c)cyclohept-6-yl)-3-(dimethylamino)-
Basic information
- CAS
73873-86-6- Standard SMILES
CN(C)C1CN(C2c3ccccc3C3CC3c3ccccc32)C1- InChIKey
PBASVMQUPVQBKB-UHFFFAOYSA-N- Molecular formula
- C21H24N2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.19394877
Names & identifiers
- Preferred name
- Azetidine, 1-(dibenzo(a,e)cyclopropa(c)cyclohept-6-yl)-3-(dimethylamino)-
- IUPAC
- N,N-dimethyl-1-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)azetidin-3-amine
- English name
- 1-[Dibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]-N,N-dimethyl-3-azetidinamine
- Molecular formula
- C21H20N2
- Molecular weight
- 300.4
Names & synonyms
1-(Dibenzo(a,e)cyclopropa(c)cyclohept-6-yl)-3-(dimethylamino)-azetidine73873-86-63-Dimethylamino-1-(10,11-endomethylene-10,11-dihydro-5H-dibenzo(a,d)cycloheptyl)azetidineAZETIDINE, 1-(DIBENZO(a,e)CYCLOPROPA(c)CYCLOHEPT-6-YL)-3-(DIMETHYLAMINO)-RefChem:320331DTXSID20995020N,N-Dimethyl-1-(1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl)azetidin-3-amine3-Azetidinamine, 1-dibenzo[a,e]cyclopropa[c]cyclohepten-6-yl-N,N-dimethyl-1-[Dibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]-N,N-dimethyl-3-azetidinamine
Database identifiers
- CAS
73873-86-6- PubChem CID
- 52690
- DTXSID
DTXSID20995020
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Boiling point
- 610.5 · 610.5±54.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 8.53 · 8.53±0.20(Predicted)
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Compound notes
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