Basic information
- CAS
73855-81-9- Standard SMILES
NC1CN(C2c3ccccc3CCc3ccccc32)C1- InChIKey
VSTTXWATQKCPGB-UHFFFAOYSA-N- Molecular formula
- C18H20N2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.16264865
Names & identifiers
- Preferred name
- AZETIDINE, 3-AMINO-1-(10,11-DIHYDRO-5H-DIBENZ(a,d)CYCLOHEPTEN-5-YL)-
- IUPAC
- 1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-amine
- English name
- 1-[10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl]-3-azetidinamine
- Molecular formula
- C18H20N2
- Molecular weight
- 264.36
Names & synonyms
73855-81-9AZETIDINE, 3-AMINO-1-(10,11-DIHYDRO-5H-DIBENZ(a,d)CYCLOHEPTEN-5-YL)-BRN 04871753-Amino-1-(10,11-dihydro-5H-dibenz(a,d)cyclohepten-5-yl)azetidineSCHEMBL8258046CHEMBL3230889DTXSID802244441-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)azetidin-3-amine1-[10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl]-3-azetidinamine3-Azetidinamine, 1-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-
Database identifiers
- CAS
73855-81-9- PubChem CID
- 52672
- DTXSID
DTXSID80224444- ChEMBL
CHEMBL3230889- Nikkaji
- J84.658I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 378.4 · 378.4±42.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 8.38 · 8.38±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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