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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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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

4-Acetamidophenylacetonitrile25025-06-358 % similar 4-Acetamidophenylboronic acid101251-09-654 % similar 4'-tert-Butylacetanilide20330-45-451 % similar Acetaminophen sulfate10066-90-749 % similar 4-Acetamidocinnamic acid7152-04-748 % similar 4'-Acetamido-2'-methylacetophenone34956-31-546 % similar 1,4-Benzenedimethanol589-29-744 % similar Sodium 4-acetamidobenzene-1-sulfinate15898-43-844 % 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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