Basic information
- CAS
38914-97-5- Standard SMILES
CCN(CCCl)CCCNc1c2ccccc2nc2ccccc12.Cl.Cl- InChIKey
BBLFNFHSEPIMOV-UHFFFAOYSA-N- Molecular formula
- C20H26Cl3N3
- Average molar mass
- 414.8 g/mol
- Monoisotopic mass
- 413.119231
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N'-9-acridinyl-N-(2-chloroethyl)-N-ethyl-, dihydrochloride
- IUPAC
- N-acridin-9-yl-N'-(2-chloroethyl)-N'-ethylpropane-1,3-diamine;dihydrochloride
Names & synonyms
ICR 217CCRIS 70151,3-Propanediamine, N'-9-acridinyl-N-(2-chloroethyl)-N-ethyl-, dihydrochlorideDTXSID101921679-((3-((2-Chloroethyl)ethylamino)propyl)amino)acridine dihydrochlorideAcridine, 9-((3-((2-chloroethyl)ethylamino)propyl)amino)-, dihydrochlorideRefChem:219446DTXCID2011465838914-97-5N~3~-(Acridin-9-yl)-N~1~-(2-chloroethyl)-N~1~-ethylpropane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
38914-97-5- PubChem CID
- 148273
- DTXSID
DTXSID10192167
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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