1,3-Propanediamine, N,N-diethyl-N'-(4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)
Basic information
- CAS
111380-12-2- Standard SMILES
CCN(CC)CCCNc1ncc(C)c2[nH]c3ccccc3c12.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
VZMHEQKVGOUYMK-LVEZLNDCSA-N- Molecular formula
- C27H34N4O8
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.23766406
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N,N-diethyl-N'-(4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);N',N'-diethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
Names & synonyms
1,3-Propanediamine, N,N-diethyl-N'-(4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)111380-12-2RefChem:1052978SR 95400A1-(3-Diethylaminopropylamino)-4-methyl-5H-pyrido(4,3-b)indole dimaleate
Database identifiers
- CAS
111380-12-2- PubChem CID
- 6444210
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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