2,2'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid

C₁₄H₁₂N₂O₄CAS 41738-56-1272.26 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₄H₁₂N₂O₄
Molar mass: 272.26 g/mol
Exact mass: 272.0797 Da
logP: 1.91Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

41738-56-1

SMILES

C1=CC(=C(C=C1C(=O)O)N)C2=C(C=C(C=C2)C(=O)O)N

InChIKey

AEZBIGVULSBTBA-UHFFFAOYSA-N

InChI

InChI=1S/C14H12N2O4/c15-11-5-7(13(17)18)1-3-9(11)10-4-2-8(14(19)20)6-12(10)16/h1-6H,15-16H2,(H,17,18)(H,19,20)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2,2'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Diaminobenzoic acid619-05-675 % similar 2-Aminoterephthalic acid10312-55-772 % similar 3-Amino-4-hydroxybenzoic acid1571-72-868 % similar 3-Amino-4-fluorobenzoic acid2365-85-766 % similar 3-Amino-4-methylbenzoic acid2458-12-066 % similar 3-Amino-4-chlorobenzoic acid2840-28-066 % similar 3-Amino-4-bromobenzoic acid2840-29-166 % similar 4-Amino-3-hydroxybenzoic acid2374-03-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-5 2,2′-Dinitrodibenzyl16968-19-7 4,4'-Diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid17557-76-5 3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid1799740-97-8 1,2-Bis(4-nitrophenyl)ethane736-30-1

Elsewhere

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