1-[[4-(1,4,7,11-Tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,5,9,13-tetrazacyclohexadecane
Basic information
- CAS
169783-50-0- Standard SMILES
c1cc(CN2CCCNCCNCCNCCC2)ccc1CN1CCCNCCCNCCCNCCC1- InChIKey
JCGWGPDKVKUQKV-UHFFFAOYSA-N- Molecular formula
- C30H58N8
- Average molar mass
- 530.8 g/mol
- Monoisotopic mass
- 530.47844388
Names & identifiers
- Preferred name
- 1-[[4-(1,4,7,11-Tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,5,9,13-tetrazacyclohexadecane
- IUPAC
- 1-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,5,9,13-tetrazacyclohexadecane
Names & synonyms
CHEMBL332659DTXSID4013660311-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,5,9,13-tetrazacyclohexadecane1,5,9,13-Tetraazacyclohexadecane, 1-[[4-(1,4,7,11-tetraazacyclotetradec-11-ylmethyl)phenyl]methyl]-1-[[4-(1,4,7,11-Tetraazacyclotetradec-11-yl)phenyl]methyl]-1,5,9,13-tetraazacylcohexadecane169783-50-0
Database identifiers
- CAS
169783-50-0- PubChem CID
- 460336
- DTXSID
DTXSID401366031- ChEMBL
CHEMBL332659
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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