CAS 1187931-59-4: 4-[[[3-(Dimethylamino)propyl]methylamino]methyl]benzoic acid

Description: 4-[[[3-(Dimethylamino)propyl]methylamino]methyl]benzoic acid, identified by its CAS number 1187931-59-4, is a chemical compound that features a benzoic acid core substituted with a complex amine side chain. This structure includes a dimethylamino group, which is known for its basicity and ability to participate in hydrogen bonding, enhancing the compound's solubility in polar solvents. The presence of the benzoic acid moiety suggests potential applications in pharmaceuticals, particularly as a building block in drug synthesis or as an active pharmaceutical ingredient (API). The compound may exhibit properties such as moderate to high lipophilicity due to the aromatic ring, which can influence its bioavailability and interaction with biological systems. Additionally, the presence of multiple functional groups indicates potential for reactivity and modification, making it a versatile candidate for further chemical derivatization. Overall, this compound's unique structure positions it as a significant entity in medicinal chemistry and related fields.

Formula: C₁₄H₂₂N₂O₂

InChI: InChI=1S/C14H22N2O2/c1-15(2)9-4-10-16(3)11-12-5-7-13(8-6-12)14(17)18/h5-8H,4,9-11H2,1-3H3,(H,17,18)

InChI key: InChIKey=TUUONFWQAVHAFN-UHFFFAOYSA-N

SMILES: O=C(O)C1=CC=C(C=C1)CN(C)CCCN(C)C

Synonyms:

• Benzoic acid, 4-[[[3-(dimethylamino)propyl]methylamino]methyl]-
• 4-[[[3-(Dimethylamino)propyl]methylamino]methyl]benzoic acid

4-(((3-(Dimethylamino)propyl)(methyl)amino)methyl)benzoic acid

CAS: 1187931-59-4

• Purity: 98%
• Molecular weight: 250.3419952392578

4-{[(3-Dimethylamino-propyl)-methyl-amino]-methyl}-benzoic acid

CAS: 1187931-59-4

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• Formula: C₁₄H₂₂N₂O₂
• Purity: Min. 95%
• Molecular weight: 250.34 g/mol