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

C₁₄H₁₂N₂O₄CAS 17557-76-5272.26 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

Identifiers

CAS number

17557-76-5

SMILES

C1=CC(=C(C=C1N)C(=O)O)C2=C(C=C(C=C2)N)C(=O)O

InChIKey

MKHDOBRSMHTMOK-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4,4'-Diaminobiphenyl-2,2'-dicarboxylic acid

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

4-Aminophthalic acid5434-21-975 % similar 5-Aminosalicylic acid89-57-668 % similar 5-Amino-2-methylbenzoic acid2840-04-266 % similar 5-Amino-2-chlorobenzoic acid89-54-366 % similar 4-Aminosalicylic acid65-49-663 % similar 4-Amino-2-chlorobenzoic acid2457-76-361 % similar 4-Amino-2-methylbenzoic acid2486-75-161 % similar 5-Amino-2-nitrobenzoic acid13280-60-957 % 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 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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