Basic information
- CAS
38915-12-7- Standard SMILES
COc1cccc2c(NCCCNCCCl)c3ccccc3nc12.Cl.Cl- InChIKey
QCDVRRGNKQFGBF-UHFFFAOYSA-N- Molecular formula
- C19H24Cl3N3O
- Average molar mass
- 416.8 g/mol
- Monoisotopic mass
- 415.098495
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-(2-chloroethyl)-N'-(4-methoxy-9-acridinyl)-, dihydrochloride
- IUPAC
- N-(2-chloroethyl)-N'-(4-methoxyacridin-9-yl)propane-1,3-diamine;dihydrochloride
Names & synonyms
1,3-Propanediamine, N-(2-chloroethyl)-N'-(4-methoxy-9-acridinyl)-, dihydrochloride38915-12-7DTXSID20192173N~1~-(2-Chloroethyl)-N~3~-(4-methoxyacridin-9-yl)propane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
38915-12-7- PubChem CID
- 148281
- DTXSID
DTXSID20192173
Properties
Computed structural properties
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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