chempirical

3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid

C14H12N2O4CAS 1799740-97-8272.26 g/mol

Open in Covalent MOL file
OHOH2NNH2OOH
Carboxylic acidPrimary 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 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3

Identifiers

CAS number
1799740-97-8
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)N)N)C(=O)O
InChIKey
YYHRJJWMKQMOFN-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O4/c15-11-5-7(1-3-9(11)13(17)18)8-2-4-10(14(19)20)12(16)6-8/h1-6H,15-16H2,(H,17,18)(H,19,20)

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Names and synonyms

1 names
  • 3,3'-Diamino-4,4'-dicarboxylic acid-1,1'-biphenyl

Work with 3,3'-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

3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-067 % similar 2-Amino-4-bromobenzoic acid20776-50-565 % similar 2-Amino-4-methylbenzoic acid2305-36-465 % similar 2-Amino-4-fluorobenzoic acid446-32-265 % similar 2-Amino-4-chlorobenzoic acid89-77-065 % similar 2-Amino-4-(trifluoromethyl)benzoic acid402-13-159 % similar 2-Amino-4-nitrobenzoic acid619-17-056 % similar 4-Aminophthalic acid5434-21-955 % 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 1,2-Bis(4-nitrophenyl)ethane736-30-1

Elsewhere

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