Basic information
- CAS
38915-55-8- Standard SMILES
CCN(CCCl)CCCNc1c2ccccc2nc2cc3ccccc3cc12.Cl.Cl- InChIKey
MWVHLAJKQMHDFX-UHFFFAOYSA-N- Molecular formula
- C24H28Cl3N3
- Average molar mass
- 464.9 g/mol
- Monoisotopic mass
- 463.134881
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N'-benz(b)acridin-12-yl-N-(2-chloroethyl)-N-ethyl-, dihydrochloride, hydrate
- IUPAC
- N-benzo[b]acridin-12-yl-N'-(2-chloroethyl)-N'-ethylpropane-1,3-diamine;dihydrochloride
Names & synonyms
ICR 42612-((3-((2-Chloroethyl)ethylamino)propyl)amino)benz(b)acridine dihydrochloride hydrate38915-55-8Benz(b)acridine, 12-((3-((2-chloroethyl)ethylamino)propyl)amino)-, dihydrochloride, hydrate1,3-Propanediamine, N'-benz(b)acridin-12-yl-N-(2-chloroethyl)-N-ethyl-, dihydrochloride, hydrateRefChem:219447SCHEMBL41947846DTXSID509597363-[(Benzo[b]acridin-12(5H)-ylidene)amino]-N-(2-chloroethyl)-N-ethylpropan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
38915-55-8- PubChem CID
- 217503
- DTXSID
DTXSID50959736
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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