3-Heptene-1,7-diamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)
Basic information
- CAS
19947-07-0- Standard SMILES
C[NH+](C)CC/C=C(/CCC[NH+](C)C)c1ccccc1CCc1ccccc1.[Cl-].[Cl-]- InChIKey
MWDBNDBFCWFUMG-NKSXWYDPSA-N- Molecular formula
- C25H38Cl2N2
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 436.2412046
Names & identifiers
- Preferred name
- 3-Heptene-1,7-diamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)
- IUPAC
- [(Z)-7-(dimethylazaniumyl)-4-[2-(2-phenylethyl)phenyl]hept-3-enyl]-dimethylazanium dichloride
Names & synonyms
19947-07-03-Heptene-1,7-diamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)RefChem:10678901,7-Bis(dimethylamino)-4-(2-(2-phenylethyl)phenyl)-3-heptene dihydrochloride hemihydrate4-(o-Phenethylphenyl)-N,N,N',N'-tetramethyl-3-heptene-1,7-diamine 2HCl hemihydrate
Database identifiers
- CAS
19947-07-0- PubChem CID
- 6433748
Properties
Computed structural properties
- Topological polar surface area
- 8.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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