Basic information
- CAS
38915-64-9- Standard SMILES
CCN(CCCl)CCCNc1c2ccccc2nc2c1c(OC)cc1cnccc12.Cl.Cl.Cl- InChIKey
NPXQXSULULMATJ-UHFFFAOYSA-N- Molecular formula
- C24H30Cl4N4O
- Average molar mass
- 532.3 g/mol
- Monoisotopic mass
- 530.117372
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, trihydrochloride, dihydrate
- IUPAC
- N'-(2-chloroethyl)-N'-ethyl-N-(6-methoxybenzo[b][1,8]phenanthrolin-7-yl)propane-1,3-diamine;trihydrochloride
Names & synonyms
ICR 4631,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, trihydrochloride, dihydrate38915-64-9RefChem:219515DTXSID40959740N-(2-Chloroethyl)-N-ethyl-3-[(6-methoxybenzo[b][1,8]phenanthrolin-7(12H)-ylidene)amino]propan-1-amine--hydrogen chloride (1/3)
Database identifiers
- CAS
38915-64-9- PubChem CID
- 217511
- DTXSID
DTXSID40959740
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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