Chlorproheptatrien
[(3Z)-3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)propyl]-dimethylazanium chloride
Also Known As: Chlorproheptatrien|5H-Dibenzo(a,d)cycloheptene-delta(sup 5)-gamma-propylamine, 3-chloro-N,N-dimethyl-, monohydrochloride|1-Propanamine, 3-(3-chloro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride|5H-Dibenzo[a,d]cycloheptene-.delta.5,.gamma.-propylamine, 3-chloro-N,N-dimethyl-, hydrochloride
| Molecular Formula | C20H21Cl2N |
|---|---|
| Molecular Weight | 345.1051 g/mol |
| LogP | 0.7941 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1051 |
| Monoisotopic Mass | 345.1051 |
| Heavy Atoms | 23 |
| Complexity | 745.05695 |
Chemical Identifiers
| CAS Number | 5490-31-3 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=CC=CC=C2C=CC3=C1C=C(C=C3)Cl.[Cl-] |
Product Overview
Chlorproheptatrien (CAS 5490-31-3), with molecular formula C20H21Cl2N and molecular weight 345.1051 g/mol. IUPAC: [(3Z)-3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)propyl]-dimethylazanium chloride.
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