Basic information
- CAS
38915-65-0- Standard SMILES
COc1cc2cnccc2c2nc3ccccc3c(NCCCN(CCCl)CCCl)c12.Cl.Cl- InChIKey
GMOACYIRCKXTGE-UHFFFAOYSA-N- Molecular formula
- C24H28Cl4N4O
- Average molar mass
- 530.3 g/mol
- Monoisotopic mass
- 528.101722
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, dihydrate
- IUPAC
- N',N'-bis(2-chloroethyl)-N-(6-methoxybenzo[b][1,8]phenanthrolin-7-yl)propane-1,3-diamine;dihydrochloride
Names & synonyms
ICR 4251,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, dihydrate38915-65-07-((3-(Bis(2-chloroethyl)amino)propyl)amino)-6-methoxybenzo(b)(1,10)phenanthroline 2HCl 2H2ORefChem:219465SCHEMBL31607960DTXSID00959741N,N-Bis(2-chloroethyl)-3-[(6-methoxybenzo[b][1,8]phenanthrolin-7(12H)-ylidene)amino]propan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
38915-65-0- PubChem CID
- 217513
- DTXSID
DTXSID00959741
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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