Basic information
- CAS
38915-59-2- Standard SMILES
CCC[NH+](CCCl)CCCNc1c2ccccc2[nH+]c2c1ccc1ccc[nH+]c12.[Cl-].[Cl-].[Cl-]- InChIKey
PGSWPAFPWLYZJI-UHFFFAOYSA-N- Molecular formula
- C24H30Cl4N4
- Average molar mass
- 516.3 g/mol
- Monoisotopic mass
- 514.122458
Names & identifiers
- Preferred name
- Benzo(b)(1,10)phenanthroline, 7-(3-(N-(2-chloroethyl)-N-propylamino)propylamino)-, trihydrochloride
- IUPAC
- 3-(benzo[b][1,10]phenanthroline-1,12-diium-7-ylamino)propyl-(2-chloroethyl)-propylazanium trichloride
Names & synonyms
38915-59-2Benzo(b)(1,10)phenanthroline, 7-(3-(N-(2-chloroethyl)-N-propylamino)propylamino)-, trihydrochlorideRefChem:1078804ICR 3947-(3-(2-Chloroethyl-n-propylamino)propylamino)benzo(b)(1,10)-phenathroline hydrochloride
Database identifiers
- CAS
38915-59-2- PubChem CID
- 38162
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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