2-[4,7,10-Tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
Basic information
- CAS
7240-87-1- Standard SMILES
OCCN1CCN(CCO)CCN(CCO)CCN(CCO)CC1- InChIKey
YPHIRJIQSXLKOH-UHFFFAOYSA-N- Molecular formula
- C16H36N4O4
- Average molar mass
- 348.48 g/mol
- Monoisotopic mass
- 348.27365564
Names & identifiers
- Preferred name
- 2-[4,7,10-Tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
- IUPAC
- 2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
Names & synonyms
7240-87-1SCHEMBL3971866DTXSID309931932,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetra(ethan-1-ol)
Database identifiers
- CAS
7240-87-1- PubChem CID
- 5232111
- DTXSID
DTXSID30993193- Nikkaji
- J646.926D
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 227
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Compound notes
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