Basic information
- CAS
38914-96-4- Standard SMILES
Cl.Cl.ClCCNCCCNc1c2ccccc2nc2ccccc12.O- InChIKey
SZYRIFPVSIVBGN-UHFFFAOYSA-N- Molecular formula
- C18H24Cl3N3O
- Average molar mass
- 404.8 g/mol
- Monoisotopic mass
- 403.098495
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate
- IUPAC
- N'-acridin-9-yl-N-(2-chloroethyl)propane-1,3-diamine;hydrate;dihydrochloride
Names & synonyms
38914-96-41,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrateDTXSID50192166RefChem:1052985DTXCID60114657ICR 449ICR 445CCRIS 70149-((3-((2-Chloroethyl)amino)propyl)amino)acridine dihydrochloride hydrateAcridine, 9-((3-((2-chloroethyl)amino)propyl)amino)-, dihydrochloride, hydrateN~1~-(Acridin-9-yl)-N~3~-(2-chloroethyl)propane-1,3-diamine--hydrogen chloride--water (1/2/1)
Database identifiers
- CAS
38914-96-4- PubChem CID
- 148271
- DTXSID
DTXSID50192166
Properties
Computed structural properties
- Topological polar surface area
- 38 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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