1,7-Heptanediamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)
Basic information
- CAS
19947-09-2- Standard SMILES
C[NH+](C)CCCC(CCC[NH+](C)C)c1ccccc1CCc1ccccc1.[Cl-].[Cl-]- InChIKey
BNUBHKKNUUTHBT-UHFFFAOYSA-N- Molecular formula
- C25H40Cl2N2
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 438.2568547
Names & identifiers
- Preferred name
- 1,7-Heptanediamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)
- IUPAC
- [7-(dimethylazaniumyl)-4-[2-(2-phenylethyl)phenyl]heptyl]-dimethylazanium dichloride
Names & synonyms
19947-09-21,7-Bis(dimethylamino)-4-(2-(2-phenylethyl)phenyl)heptane dihydrochloride hemihydrate4-(o-Phenethylphenyl)-N,N,N',N'-tetramethyl-1,7-heptanediamine 2HCl hemihydrate1,7-Heptanediamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)RefChem:221708
Database identifiers
- CAS
19947-09-2- PubChem CID
- 29869
Properties
Computed structural properties
- Topological polar surface area
- 8.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…