1,3-Propanediamine, N'-benzo(b)(1,8)phenanthrolin-7-yl-N,N-bis(2-chloroethyl)-, dihydrochloride, sesquihydrate
Basic information
- CAS
38915-63-8- Standard SMILES
Cl.Cl.ClCCN(CCCl)CCCNc1c2ccccc2nc2c1ccc1cnccc12- InChIKey
JYRUXVJZNLWQPH-UHFFFAOYSA-N- Molecular formula
- C23H26Cl4N4
- Average molar mass
- 500.3 g/mol
- Monoisotopic mass
- 498.091158
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N'-benzo(b)(1,8)phenanthrolin-7-yl-N,N-bis(2-chloroethyl)-, dihydrochloride, sesquihydrate
- IUPAC
- N-benzo[b][1,8]phenanthrolin-7-yl-N',N'-bis(2-chloroethyl)propane-1,3-diamine;dihydrochloride
Names & synonyms
ICR 4411,3-Propanediamine, N'-benzo(b)(1,8)phenanthrolin-7-yl-N,N-bis(2-chloroethyl)-, dihydrochloride, sesquihydrate38915-63-8DTXSID101921877-((3-(Bis(2-chloroethyl)amino)propyl)amino)benzo(b)(1,8)phenanthroline 2HCl sesquihydrateRefChem:219448DTXCID20114678N~3~-(Benzo[b][1,8]phenanthrolin-7-yl)-N~1~,N~1~-bis(2-chloroethyl)propane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
38915-63-8- PubChem CID
- 217509
- DTXSID
DTXSID10192187
Properties
Computed structural properties
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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