3,3′-Dicarboxy-4,4′-diaminodiphenylmethane

C₁₅H₁₄N₂O₄CAS 7330-46-3286.29 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₅H₁₄N₂O₄
Molar mass: 286.29 g/mol
Exact mass: 286.0954 Da
Melting point: 245–248 °C
logP: 1.84Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 4

Identifiers

CAS number

7330-46-3

SMILES

Nc1ccc(Cc2ccc(N)c(C(=O)O)c2)cc1C(=O)O

InChIKey

QRUWUSOUUMPANJ-UHFFFAOYSA-N

InChI

InChI=1S/C15H14N2O4/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7H,5,16-17H2,(H,18,19)(H,20,21)

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

Names and synonyms

13 names · show all

Benzoic acid, 3,3′-methylenebis[6-amino-
Anthranilic acid, 5,5′-methylenedi-
3,3′-Methylenebis[6-aminobenzoic acid]
4,4′-Diaminodiphenylmethane-3,3′-dicarboxylic acid
5,5′-Methylenedianthranilic acid
5,5′-Methylenebis[2-aminobenzoic acid]
4,4′-Diamino-3,3′-dicarboxydiphenylmethane
Bis(4-amino-3-carboxyphenyl)methane
Benzoic acid, 5,5′-methylenebis[2-amino-
NCI 37136
CB 37136
MBAA
NSC 37136

Work with 3,3′-Dicarboxy-4,4′-diaminodiphenylmethane

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

5,5′-Methylenedisalicylic acid122-25-862 % similar 5-Hydroxyanthranilic acid394-31-062 % similar 2-Amino-5-methylbenzoic acid2941-78-860 % similar 2-Amino-5-fluorobenzoic acid446-08-260 % similar 2-Amino-5-bromobenzoic acid5794-88-760 % similar 2-Amino-5-chlorobenzoic acid635-21-260 % similar Anthranilic acid118-92-355 % similar 2-Amino-5-(aminosulfonyl)benzoic acid137-65-554 % similar

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

Elsewhere

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