4-[4-(Bis(2-hydroxyethyl)amino)phenyl]butanoic acid
Basic information
- CAS
34677-78-6- Standard SMILES
O=C(O)CCCc1ccc(N(CCO)CCO)cc1- InChIKey
QTGUQAIGQHYVHI-UHFFFAOYSA-N- Molecular formula
- C14H21NO4
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.14705815
Names & identifiers
- Preferred name
- 4-[4-(Bis(2-hydroxyethyl)amino)phenyl]butanoic acid
- IUPAC
- 4-[4-[bis(2-hydroxyethyl)amino]phenyl]butanoic acid
Names & synonyms
34677-78-64-[4-(bis(2-hydroxyethyl)amino)phenyl]butanoic acid4-[4-[bis(2-hydroxyethyl)amino]phenyl]butanoic acid4-{4-[Bis(2-hydroxyethyl)amino]phenyl}butanoic acid4-(4-(Bis(2-hydroxyethyl)amino)phenyl)butanoic acidNSC309417SCHEMBL19643200DTXSID20316958NSC-309417DS-005242
Database identifiers
- CAS
34677-78-6- PubChem CID
- 328844
- DTXSID
DTXSID20316958- Nikkaji
- J931.998K
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 246
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Related reactions
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Compound notes
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