Basic information
- CAS
73402-20-7- Standard SMILES
OCCN1CCOCCN(CCO)CCOCC1- InChIKey
QWDHRJHPWFVIEC-UHFFFAOYSA-N- Molecular formula
- C12H26N2O4
- Average molar mass
- 262.35 g/mol
- Monoisotopic mass
- 262.18925731
Names & identifiers
- Preferred name
- 1,7-Dioxa-4,10-diazacyclododecane-4,10-diethanol
- IUPAC
- 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol
Names & synonyms
73402-20-71,7-Dioxa-4,10-diazacyclododecane-4,10-diethanolDTXSID90341873RefChem:221698DTXCID502929532,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diethanolMLS000078614Oprea1_263000CHEMBL1734460SCHEMBL13758294QWDHRJHPWFVIEC-UHFFFAOYSA-NHMS2292B05
Show more names
STL336110AKOS022140398SMR000041726SR-01000389998SR-01000389998-1N,N'-Bis(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododecane2,2'-(1,7-Dioxa-4,10-diazacyclododecane-4,10-diyl)di(ethan-1-ol)
Database identifiers
- CAS
73402-20-7- PubChem CID
- 576367
- DTXSID
DTXSID90341873- ChEMBL
CHEMBL1734460
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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