6-(Dimethylamino)-4,4-diphenylheptanoic acid

HCID 219488

Notes Reactions

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Basic information

CAS: 5340-16-9
Standard SMILES: CC(CC(CCC(=O)O)(c1ccccc1)c1ccccc1)N(C)C
InChIKey: WYQSLXSVBQFXJG-UHFFFAOYSA-N
Molecular formula: C21H27NO2
Average molar mass: 325.4 g/mol
Monoisotopic mass: 325.2041791

Names & identifiers

Preferred name: 6-(Dimethylamino)-4,4-diphenylheptanoic acid
IUPAC: 6-(dimethylamino)-4,4-diphenylheptanoic acid

Names & synonyms

6-(DIMETHYLAMINO)-4,4-DIPHENYLHEPTANOIC ACID5340-16-9NSC8756-dimethylamino-4,4-diphenyl-heptanoic acidSCHEMBL8658460DTXSID70277106NSC-875WYQSLXSVBQFXJG-UHFFFAOYSA-N

Database identifiers

CAS: 5340-16-9
PubChem CID: 219488
DTXSID: DTXSID70277106

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 363

Related reactions

2 records

New reaction record

HRID 1461148As productuspto-grants-1991_12

HRID 1559535As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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