chempirical

Veratrylamine

C9H13NO2CAS 5763-61-1167.21 g/mol

Open in Covalent MOL file
ONH2O
EtherPrimary amine

Properties

Molecular formula
C9H13NO2
Molar mass
167.21 g/mol
Exact mass
167.0946 Da
Density
1.1224 g/mL (at 20 °C)
Melting point
262–263 °C
Boiling point
160 °C (at 14 Torr)
logP
1.16Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
5763-61-1
SMILES
COc1ccc(CN)cc1OC
InChIKey
DIVNUTGTTIRPQA-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3

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

Names and synonyms

8 names
  • Benzenemethanamine, 3,4-dimethoxy-
  • 3,4-Dimethoxybenzenemethanamine
  • 3,4-Dimethoxybenzylamine
  • [(3,4-Dimethoxyphenyl)methyl]amine
  • NSC 271740
  • (3,4-Dimethoxyphenyl)methanamine
  • 1-[3,4-Bis(methyloxy)phenyl]methanamine
  • 1-(3,4-Dimethoxyphenyl)methanamine

Work with Veratrylamine

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

3-Chloro-4-methoxybenzenemethanamine115514-77-768 % similar 3,4-Dimethoxyphenethylamine120-20-767 % similar 3-Chloro-4-methoxybenzylamine hydrochloride41965-95-167 % similar 3-Methoxy-4-hydroxybenzylamine hydrochloride7149-10-267 % similar 3,4,5-Trimethoxybenzylamine18638-99-862 % similar Veratryl chloride7306-46-960 % similar Veratrole alcohol93-03-860 % similar 2,3-Dihydro-1,4-benzodioxin-6-methanamine17413-10-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Azaspirodecanedione1075-89-4 1-Cyanocyclohexaneacetic acid133481-09-1 2-(2-Methoxyphenoxy)ethanamine1836-62-0 Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-1 (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-1 2,5-Dimethoxybenzenemethanamine3275-95-4 2,3-Dimethoxybenzylamine4393-09-3 (1R,2R)-2-Amino-1-phenyl-1,3-propanediol46032-98-8

Elsewhere

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