4,4'-Bis(dimethylamino)benzhydrol

C₁₇H₂₂N₂OCAS 119-58-4270.38 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₇H₂₂N₂O
Molar mass: 270.38 g/mol
Exact mass: 270.1732 Da
Melting point: 98–100 °C
logP: 2.90Crippen estimate
Polar surface area: 26.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

119-58-4

SMILES

CN(C)c1ccc(C(O)c2ccc(N(C)C)cc2)cc1

InChIKey

YLZSIUVOIFJGQZ-UHFFFAOYSA-N

InChI

InChI=1S/C17H22N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12,17,20H,1-4H3

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Names and synonyms

14 names · show all

Benzenemethanol, 4-(dimethylamino)-α-[4-(dimethylamino)phenyl]-
Benzhydrol, 4,4′-bis(dimethylamino)-
Benzohydrol, 4,4′-bis(dimethylamino)-
4-(Dimethylamino)-α-[4-(dimethylamino)phenyl]benzenemethanol
α,α-Bis(p-dimethylaminophenyl)methanol
Michler's hydrol
Tetramethyldiaminobenzhydrol
N,N′-Tetramethyl-4,4′-diaminobenzohydrol
4,4′-Bis(dimethylamino)diphenylcarbinol
p,p′-Bis(dimethylamino)benzhydrol
4,4′-Bis(dimethylamino)diphenylmethanol
4,4′-Bis(dimethylamino)benzhydrol
NSC 3563
4,4′-(Dimethylamino)benzhydrol

Work with 4,4'-Bis(dimethylamino)benzhydrol

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

Leucocrystal violet603-48-563 % similar Wurster'S blue100-22-157 % similar Leucomalachite green129-73-754 % similar N,N,N′,N′-Tetramethylbenzidine366-29-050 % similar Tetramethyl-P-phenylenediamine dihydrochloride637-01-450 % similar 4,4′-Dichlorobenzhydrol90-97-150 % similar Dimethyl-P-toluidine99-97-846 % similar 4-(Dimethylamino)phenylboronic acid28611-39-445 % similar

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

Elsewhere

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