chempirical

3-Aminobenzyl alcohol

C7H9NOCAS 1877-77-6123.15 g/mol

Open in Covalent MOL file
NH2HO
AlcoholPrimary amine

Properties

Molecular formula
C7H9NO
Molar mass
123.15 g/mol
Exact mass
123.0684 Da
Melting point
93–95 °C
logP
0.76Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1877-77-6
SMILES
Nc1cccc(CO)c1
InChIKey
OJZQOQNSUZLSMV-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5,8H2

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanol, 3-amino-
  • Benzyl alcohol, m-amino-
  • 3-Aminobenzenemethanol
  • 3-(Hydroxymethyl)aniline
  • m-Aminobenzyl alcohol
  • NSC 62359
  • (3-Aminophenyl)methanol
  • [3-(Hydroxymethyl)phenyl]amine

Work with 3-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

1,3-Benzenedimethanol626-18-665 % similar 3-Aminobenzylamine4403-70-759 % similar 3-Ethylaniline587-02-057 % similar 3-Amino-N-methylbenzenemethanamine18759-96-157 % similar 4-Aminobenzyl alcohol623-04-154 % similar 3-Fluorobenzyl alcohol456-47-354 % similar 3-Hydroxybenzyl alcohol620-24-654 % similar 3-Chlorobenzyl alcohol873-63-254 % 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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