Veratrylamine

C₉H₁₃NO₂CAS 5763-61-1167.21 g/mol

Open in Covalent MOL file

Ether Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed12.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage12.5% of notifiers
H332 Harmful if inhaled12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

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

Weigh it out

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-methylamine17413-10-457 % 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 2,4-Dimethoxybenzylamine20781-20-8 2,6-Dimethoxybenzylamine20781-22-0 Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-2 Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-1 (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-1

Elsewhere

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