3,4,5-Trimethoxyaniline

C₉H₁₃NO₃CAS 24313-88-0183.21 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₉H₁₃NO₃
Molar mass: 183.21 g/mol
Exact mass: 183.0895 Da
Melting point: 113–114 °C
Boiling point: 130–140 °C (at 1 Torr)
logP: 1.29Crippen estimate
Polar surface area: 53.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation91.8% of notifiers
H319 Causes serious eye irritation12.2% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation89.8% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

24313-88-0

SMILES

COc1cc(N)cc(OC)c1OC

InChIKey

XEFRNCLPPFDWAC-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,10H2,1-3H3

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 3,4,5-trimethoxy-
Aniline, 3,4,5-trimethoxy-
3,4,5-Trimethoxybenzenamine
3,4,5-Trimethoxyphenylamine
NSC 37006
[3,4,5-Tris(methyloxy)phenyl]amine
3,4,5-Tris(methyloxy)aniline
1-(3,4,5-Trimethoxyphenyl)aniline

Work with 3,4,5-Trimethoxyaniline

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

3,4-Dimethoxyaniline6315-89-558 % similar 3,4,5-Trimethoxytoluene6443-69-256 % similar 3,5-Difluoro-4-methoxyaniline363-47-356 % similar 1-Bromo-3,4,5-trimethoxybenzene2675-79-854 % similar 3,4,5-Trimethoxyphenol642-71-754 % similar 3,4,5-Trimethoxybenzylamine18638-99-854 % similar 3,5-Dimethoxyaniline10272-07-852 % similar 3-Methoxy-4-methylaniline16452-01-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(±)-Adrenaline329-65-7 (-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol51-43-4 tert-Butyl N-(furan-3-yl)carbamate56267-48-2

Elsewhere

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