Basic information
- CAS
109653-55-6- Standard SMILES
Nc1ccc(OCCCCCOc2ccc(N)c(N)c2)cc1N- InChIKey
JVJALUWIKDCMKQ-UHFFFAOYSA-N- Molecular formula
- C17H24N4O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.18992602
Names & identifiers
- Preferred name
- o-Phenylenediamine, 4,4'-pentamethylenedioxybis-
- IUPAC
- 4-[5-(3,4-diaminophenoxy)pentoxy]benzene-1,2-diamine
Names & synonyms
o-Phenylenediamine, 4,4'-pentamethylenedioxybis-109653-55-6M & B 2497BRN 34256314,4'-Pentamethylenedioxybis(o-phenylenediamine)4-13-00-01448 (Beilstein Handbook Reference)DTXSID40149008RefChem:366510DTXCID20714994-[5-(3,4-diaminophenoxy)pentoxy]benzene-1,2-diamineorb1985510AKOS040753380
Show more names
T338104,4'-[Pentane-1,5-diylbis(oxy)]di(benzene-1,2-diamine)
Database identifiers
- CAS
109653-55-6- PubChem CID
- 3066176
- DTXSID
DTXSID40149008
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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