Basic information
- CAS
102259-67-6- Standard SMILES
CCN(CC)CCCC(C)Nc1cc(OC)c2nc(C)cc(OC)c2c1OC.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12- InChIKey
VHQPYFWWPZINPP-UHFFFAOYSA-N- Molecular formula
- C32H43N3O9S2
- Average molar mass
- 677.8 g/mol
- Monoisotopic mass
- 677.2440723
Names & identifiers
- Preferred name
- Naphthalene-1,5-disulfonic acid--N~1~,N~1~-diethyl-N~4~-(4,5,8-trimethoxy-2-methylquinolin-6-yl)pentane-1,4-diamine (1/1)
- IUPAC
- 1-N,1-N-diethyl-4-N-(4,5,8-trimethoxy-2-methylquinolin-6-yl)pentane-1,4-diamine;naphthalene-1,5-disulfonic acid
Names & synonyms
102259-67-6DTXSID80907301Naphthalene-1,5-disulfonic acid--N~1~,N~1~-diethyl-N~4~-(4,5,8-trimethoxy-2-methylquinolin-6-yl)pentane-1,4-diamine (1/1)RefChem:1092257DTXCID601336391NSC278992Quinoline, 6-((4-(diethylamino)-1-methylbutyl)amino)-2-methyl-4,5,8-trimethoxy-, 1,5-naphthalenedisulfonateNSC-278992N1,N1-diethyl-N4-(4,5,8-trimethoxy-2-methyl-6-quinolyl)pentane-1,4-diamine; naphthalene-1,5-disulfonic acidNaphthalene-1,5-disulfonic acid - N~1~,N~1~-diethyl-N~4~-(4,5,8-trimethoxy-2-methylquinolin-6-yl)pentane-1,4-diamine (1:1)
Database identifiers
- CAS
102259-67-6- PubChem CID
- 322280
- DTXSID
DTXSID80907301
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 885
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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