Basic information
- CAS
38915-36-5- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2n1.Cl.Cl- InChIKey
NMQPAWNMQGYIOY-UHFFFAOYSA-N- Molecular formula
- C22H29Cl5N4O
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 540.0784
Names & identifiers
- Preferred name
- 1,4-Pentanediamine, N(sup 1),N(sup 1)-bis(2-chloroethyl)-N(sup 4)-(7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)-, dihydrochloride
- IUPAC
- 1-N,1-N-bis(2-chloroethyl)-4-N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)pentane-1,4-diamine;dihydrochloride
Names & synonyms
ICR 3591,4-Pentanediamine, N(sup 1),N(sup 1)-bis(2-chloroethyl)-N(sup 4)-(7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)-, dihydrochloride38915-36-5RefChem:221031DTXSID00959726N,N-Bis(2-chloroethyl)-4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10(5H)-ylidene)amino]pentan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
38915-36-5- PubChem CID
- 217487
- DTXSID
DTXSID00959726
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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