1,4,8,11-Tetraazatetradecane, 1,1'-(1,3-propanediyl)bis-
Basic information
- CAS
110078-40-5- Standard SMILES
C1CNCCNCCCN(CCCN2CCCNCCNCCCNCC2)CCNC1- InChIKey
SCMFKRCYKTYWIW-UHFFFAOYSA-N- Molecular formula
- C23H52N8
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 440.43149369
Names & identifiers
- Preferred name
- 1,4,8,11-Tetraazatetradecane, 1,1'-(1,3-propanediyl)bis-
- IUPAC
- 1-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propyl]-1,4,8,11-tetrazacyclotetradecane
Names & synonyms
N,N'-Bicyclampropane1,4,8,11-Tetraazatetradecane, 1,1'-(1,3-propanediyl)bis-JM 2763AMD2763110078-40-5JM2763CHEMBL28967N,N'-Bis(1,4,8,11-tetra-Azatetradecane)1,3-propane1-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propyl]-1,4,8,11-tetrazacyclotetradecaneSCHEMBL599000DTXSID10149136BDBM50615201
Show more names
1,3-di(1,4,8,11-tetraazacyclotetradecanyl)propane1,1'-(Propane-1,3-diyl)bis(1,4,8,11-tetraazacyclotetradecane)
Database identifiers
- CAS
110078-40-5- PubChem CID
- 453871
- DTXSID
DTXSID10149136- ChEMBL
CHEMBL28967- Nikkaji
- J576.149B
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 351
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Related reactions
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Compound notes
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