4-Aminobenzyl alcohol

C7H9NOCAS 623-04-1123.15 g/mol

Open in Covalent MOL file
H2NOH
AlcoholPrimary amine

Properties

Molecular formula
C7H9NO
Molar mass
123.15 g/mol
Exact mass
123.0684 Da
Melting point
63–64 °C
logP
0.76Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
623-04-1
SMILES
Nc1ccc(CO)cc1
InChIKey
AXKGIPZJYUNAIW-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzenemethanol, 4-amino-
  • Benzyl alcohol, p-amino-
  • 4-Aminobenzenemethanol
  • p-Aminobenzyl alcohol
  • 4-(Hydroxymethyl)aniline
  • (4-Aminophenyl)methanol
  • (p-Aminophenyl)methanol
  • 1-(p-Aminophenyl)methanol
  • 4-Hydroxymethylphenylamine

Work with 4-Aminobenzyl 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-Benzenedimethanol589-29-767 % similar 2-(4-Aminophenyl)ethanol104-10-961 % similar 4,4′-Ethylenedianiline621-95-460 % similar 4,4′-Methylenedianiline101-77-957 % similar 4,4'-Bis(hydroxymethyl)biphenyl1667-12-557 % similar [4-(Aminomethyl)phenyl]methanol39895-56-257 % similar 3-Aminobenzyl alcohol1877-77-654 % similar 4-Aminobenzylamine4403-71-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-4-methylpyridine100848-70-2 (5-Methylpyridin-3-yl)methanol102074-19-1 2-Pyridineethanol103-74-2 P-Anisidine104-94-9 2,6-Dimethylpyridine N-oxide1073-23-0 2,6-Dimethyl-3-pyridinol1122-43-6 6-Methyl-2-pyridinemethanol1122-71-0 2-Methoxy-5-picoline13472-56-5

Elsewhere

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