5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-diethyl-
Basic information
- CAS
4687-46-1- Standard SMILES
CCN(CC)CCC=C1c2ccccc2CCc2ccccc21- InChIKey
ZQRSWEVZDIGGOC-UHFFFAOYSA-N- Molecular formula
- C22H27N
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.21434987
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-diethyl-
- IUPAC
- N,N-diethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
- English name
- N,N-Diethyl-3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-propanamine
- Molecular formula
- C22H27N
- Molecular weight
- 305.46
Names & synonyms
BRN 28136694687-46-15H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-diethyl-DTXSID10196968N,N-Diethyl-10,11-dihydro-5H-dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamineRefChem:305595DTXCID50119459N,N-Diethyl-3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-propanamine3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-diethylpropan-1-amine1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-diethyl-
Database identifiers
- CAS
4687-46-1- PubChem CID
- 20815
- DTXSID
DTXSID10196968- Nikkaji
- J171.288H
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 425.5 · 425.5±24.0 °C(Predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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