2-[4-[Bis(2-hydroxyethyl)amino]-2,6-bis[4-[bis(2-hydroxyethyl)amino]phenyl]phenyl]acetonitrile
Basic information
- CAS
22254-88-2- Standard SMILES
N#CCc1c(-c2ccc(N(CCO)CCO)cc2)cc(N(CCO)CCO)cc1-c1ccc(N(CCO)CCO)cc1- InChIKey
CDUWPUXWSJLPJR-UHFFFAOYSA-N- Molecular formula
- C32H42N4O6
- Average molar mass
- 578.7 g/mol
- Monoisotopic mass
- 578.31043507
Names & identifiers
- Preferred name
- 2-[4-[Bis(2-hydroxyethyl)amino]-2,6-bis[4-[bis(2-hydroxyethyl)amino]phenyl]phenyl]acetonitrile
- IUPAC
- 2-[4-[bis(2-hydroxyethyl)amino]-2,6-bis[4-[bis(2-hydroxyethyl)amino]phenyl]phenyl]acetonitrile
Database identifiers
- CAS
22254-88-2- PubChem CID
- 89639
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 18
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 703
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Compound notes
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