4-Aminobenzyl alcohol

C₇H₉NOCAS 623-04-1123.15 g/mol

Open in Covalent MOL file

Alcohol Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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 3-Aminobenzyl alcohol1877-77-654 % similar 4-Aminobenzylamine4403-71-852 % similar Gastrodigenin623-05-252 % similar Benzyl alcohol100-51-650 % 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