chempirical

4-Acetaminobenzyl alcohol

C9H11NO2CAS 16375-88-5165.19 g/mol

Open in Covalent MOL file
OHNOH
AlcoholAmide

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
logP
1.14Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
16375-88-5
SMILES
CC(=O)NC1=CC=C(C=C1)CO
InChIKey
XEYORFKUJZEQCH-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-5,11H,6H2,1H3,(H,10,12)

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Names and synonyms

1 names
  • 4-Acetamidobenzyl alcohol

Work with 4-Acetaminobenzyl alcohol

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

1,4-Benzenedimethanol589-29-744 % similar 4-(Hydroxymethyl)benzoic acid3006-96-043 % similar Methyl 4-(hydroxymethyl)benzoate6908-41-442 % similar 4-Iodobenzyl alcohol18282-51-441 % similar (2S)-5-((Aminocarbonyl)amino)-2-(((2S)-2-amino-3-methylbutanoyl)amino)-N-(4-(hydroxymethyl)phenyl)pentanamide159857-79-138 % similar N,N′-1,4-Phenylenebis[3-oxobutanamide]24731-73-538 % similar Gastrodigenin623-05-238 % similar Anisyl alcohol105-13-537 % similar

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

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6

Elsewhere

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