Basic information
- CAS
36167-68-7- Standard SMILES
CCN(CCCl)CCCNc1c2ccccc2nc2ccc(OC)cc12.Cl.Cl- InChIKey
ATUOKMMAMPTLPY-UHFFFAOYSA-N- Molecular formula
- C21H28Cl3N3O
- Average molar mass
- 444.8 g/mol
- Monoisotopic mass
- 443.129796
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(2-methoxy-9-acridinyl)-, dihydrochloride
- IUPAC
- N'-(2-chloroethyl)-N'-ethyl-N-(2-methoxyacridin-9-yl)propane-1,3-diamine;dihydrochloride
Names & synonyms
ICR 2241,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(2-methoxy-9-acridinyl)-, dihydrochloride36167-68-7DTXSID301897319-((3-((2-Chloroethyl)ethylamino)propyl)amino)-2-methoxyacridine dihydrochlorideAcridine, 9-((3-((2-chloroethyl)ethylamino)propyl)amino)-2-methoxy-, dihydrochlorideRefChem:219513DTXCID90112222N~1~-(2-Chloroethyl)-N~1~-ethyl-N~3~-(2-methoxyacridin-9-yl)propane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
36167-68-7- PubChem CID
- 215732
- DTXSID
DTXSID30189731
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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