3,3'-Biphenyldicarboxylic acid, 6,6'-diamino-, bis-(2-diethylaminoethyl) ester, hydrochloride
Basic information
- CAS
63992-37-0- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(N)c(-c2cc(C(=O)OCC[NH+](CC)CC)ccc2N)c1.[Cl-]- InChIKey
FBUQNJJEIGYAFR-UHFFFAOYSA-N- Molecular formula
- C26H39ClN4O4
- Average molar mass
- 507.1 g/mol
- Monoisotopic mass
- 506.2659834
Names & identifiers
- Preferred name
- 3,3'-Biphenyldicarboxylic acid, 6,6'-diamino-, bis-(2-diethylaminoethyl) ester, hydrochloride
- IUPAC
- 2-[4-amino-3-[2-amino-5-[2-(diethylamino)ethoxycarbonyl]phenyl]benzoyl]oxyethyl-diethylazanium chloride
Names & synonyms
63992-37-0Di-(beta-diethylaminoethyl)-2,2'-diamino-5,5'-biphenylcarboxylate hydrochloride3,3'-Biphenyldicarboxylic acid, 6,6'-diamino-, bis-(2-diethylaminoethyl) ester, hydrochlorideRefChem:269878
Database identifiers
- CAS
63992-37-0- PubChem CID
- 46317
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 612
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Compound notes
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