1,3-Propanediamine, N-(2-chloroethyl)-N'-(1,2,3,4-tetrahydro-9-acridinyl)-, dihydrochloride, hydrate
Basic information
- CAS
38915-01-4- Standard SMILES
Cl.Cl.ClCCNCCCNc1c2c(nc3ccccc13)CCCC2.O- InChIKey
NMPAKPMGVPITIC-UHFFFAOYSA-N- Molecular formula
- C18H28Cl3N3O
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 407.129796
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-(2-chloroethyl)-N'-(1,2,3,4-tetrahydro-9-acridinyl)-, dihydrochloride, hydrate
- IUPAC
- N-(2-chloroethyl)-N'-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine;hydrate;dihydrochloride
Names & synonyms
1,2,3,4-Tetrahydro-9-((3-((2-chloroethyl)amino)propyl)amino)acridine dihydrochloride hydrate38915-01-4Acridine, 1,2,3,4-tetrahydro-9-((3-((2-chloroethyl)amino)propyl)amino)-, 2HCl, hydrate1,3-Propanediamine, N-(2-chloroethyl)-N'-(1,2,3,4-tetrahydro-9-acridinyl)-, dihydrochloride, hydrateRefChem:219505DTXSID90959710N-(2-Chloroethyl)-3-[(1,3,4,10-tetrahydroacridin-9(2H)-ylidene)amino]propan-1-amine--hydrogen chloride--water (1/2/1)
Database identifiers
- CAS
38915-01-4- PubChem CID
- 148277
- DTXSID
DTXSID90959710
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
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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