N,N'-Bis(benzo(b)(1,8)napthyridin-5-yl)-1,12-dodecanediamine
Basic information
- CAS
64955-67-5- Standard SMILES
c1ccc2c(NCCCCCCCCCCCCNc3c4ccccc4nc4ncccc34)c3cccnc3nc2c1- InChIKey
KVCLNZVGTNZBCJ-UHFFFAOYSA-N- Molecular formula
- C36H40N6
- Average molar mass
- 556.7 g/mol
- Monoisotopic mass
- 556.3314453
Names & identifiers
- Preferred name
- N,N'-Bis(benzo(b)(1,8)napthyridin-5-yl)-1,12-dodecanediamine
- IUPAC
- N,N'-bis(benzo[b][1,8]naphthyridin-5-yl)dodecane-1,12-diamine
Names & synonyms
8PZ70CA1PFN,N'-Bis(benzo(b)(1,8)napthyridin-5-yl)-1,12-dodecanediamineNSC-2606151,12-Dodecanediamine, N,N'-bis(benzo(b)(1,8)napthyridin-5-yl)-N,12-dodecanediamineNSC260615NSC 260615UNII-8PZ70CA1PFCHEMBL3278775DTXSID402152771, N,N'-bis(benzo[b][1,8]naphthyridin-5-yl)-1,12-DODECANEDIAMINE, N,N'-BIS(BENZO(B)(1,8)NAPHTHYRIDIN-5-YL)-
Show more names
N~1~,N~12~-Bis(benzo[b][1,8]naphthyridin-5-yl)dodecane-1,12-diamine
Database identifiers
- CAS
64955-67-5- PubChem CID
- 99665
- DTXSID
DTXSID40215277- ChEMBL
CHEMBL3278775- UNII
- 8PZ70CA1PF
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 701
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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