1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)-, dihydrochloride
Basic information
- CAS
38915-35-4- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCl)CCCl)c2n1.Cl.Cl- InChIKey
PPSJQJIJRYYVKQ-UHFFFAOYSA-N- Molecular formula
- C20H25Cl5N4O
- Average molar mass
- 514.7 g/mol
- Monoisotopic mass
- 512.0471
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)-, dihydrochloride
- IUPAC
- N',N'-bis(2-chloroethyl)-N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)propane-1,3-diamine;dihydrochloride
Names & synonyms
ICR 3491,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)-, dihydrochloride38915-35-4DTXSID80192179RefChem:219466DTXCID40114670N~1~,N~1~-Bis(2-chloroethyl)-N~3~-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)propane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
38915-35-4- PubChem CID
- 217485
- DTXSID
DTXSID80192179
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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