1,3-Propanediamine, N'-(2-butoxy-7-chlorobenzo(b)-1,5-naphthyridin-10-yl)-N,N-bis(2-chloroethyl)-, dihydrochloride, hydrate
Basic information
- CAS
38915-44-5- Standard SMILES
CCCCOc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCl)CCCl)c2n1.Cl.Cl- InChIKey
VUWDQMAHILTTFE-UHFFFAOYSA-N- Molecular formula
- C23H31Cl5N4O
- Average molar mass
- 556.8 g/mol
- Monoisotopic mass
- 554.09405
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N'-(2-butoxy-7-chlorobenzo(b)-1,5-naphthyridin-10-yl)-N,N-bis(2-chloroethyl)-, dihydrochloride, hydrate
- IUPAC
- N-(2-butoxy-7-chlorobenzo[b][1,5]naphthyridin-10-yl)-N',N'-bis(2-chloroethyl)propane-1,3-diamine;dihydrochloride
Names & synonyms
ICR 3511,3-Propanediamine, N'-(2-butoxy-7-chlorobenzo(b)-1,5-naphthyridin-10-yl)-N,N-bis(2-chloroethyl)-, dihydrochloride, hydrate38915-44-5RefChem:219432DTXSID109597323-[(2-Butoxy-7-chlorobenzo[b][1,5]naphthyridin-10(5H)-ylidene)amino]-N,N-bis(2-chloroethyl)propan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
38915-44-5- PubChem CID
- 217495
- DTXSID
DTXSID10959732
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…