1,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, hydrate (2:5)
Basic information
- CAS
39040-00-1- Standard SMILES
COc1cc2cccnc2c2nc3ccccc3c(NCCNCCCl)c12.Cl.Cl- InChIKey
GDIVQDBGRYCUNQ-UHFFFAOYSA-N- Molecular formula
- C21H23Cl3N4O
- Average molar mass
- 453.8 g/mol
- Monoisotopic mass
- 452.093744
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, hydrate (2:5)
- IUPAC
- N-(2-chloroethyl)-N'-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine;dihydrochloride
Names & synonyms
ICR 4231,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, hydrate (2:5)39040-00-1DTXSID601922981,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochlorideRefChem:216290DTXCID70114789N~1~-(2-Chloroethyl)-N~2~-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
39040-00-1- PubChem CID
- 217626
- DTXSID
DTXSID60192298
Properties
Computed structural properties
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 467
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…