4-Hydroxybenzylamine

C7H9NOCAS 696-60-6123.15 g/mol

Open in Covalent MOL file
H2NOH
PhenolPrimary amine

Properties

Molecular formula
C7H9NO
Molar mass
123.15 g/mol
Exact mass
123.0684 Da
Melting point
114–115 °C
logP
0.85Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
696-60-6
SMILES
NCc1ccc(O)cc1
InChIKey
RQJDUEKERVZLLU-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2

Weigh it out

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

Names and synonyms

10 names
  • Phenol, 4-(aminomethyl)-
  • p-Cresol, α-amino-
  • 4-(Aminomethyl)phenol
  • p-Hydroxybenzylamine
  • p-(Aminomethyl)phenol
  • 4-Hydroxybenzenemethanamine
  • p-Hydroxybenzenemethanamine
  • NSC 125720
  • [(4-Hydroxyphenyl)methyl]amine
  • (4-Hydroxyphenyl)methanamine

Work with 4-Hydroxybenzylamine

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

P-Xylylenediamine539-48-067 % similar Tyramine51-67-261 % similar Bisphenol F620-92-857 % similar 4-Bromobenzenemethanamine3959-07-757 % similar [4-(Aminomethyl)phenyl]methanol39895-56-257 % similar Tyramine hydrochloride60-19-554 % similar 4-Aminobenzylamine4403-71-852 % similar Gastrodigenin623-05-252 % 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

PubChem CAS Common Chemistry NIST WebBook