2,4,6-Trimethoxyaniline

HCID 84271CAS 14227-17-9

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(OC)c(N)c(OC)c1
InChIKey: FNSAKXLEFPFZOM-UHFFFAOYSA-N
Molecular formula: C9H13NO3
Average molar mass: 183.2 g/mol
Monoisotopic mass: 183.08954328

Names & identifiers

Preferred name: 2,4,6-Trimethoxyaniline
IUPAC: 2,4,6-trimethoxyaniline
English name: 2,4,6-TRIMETHOXYANILINE
Molecular formula: C9H13NO3
Molecular weight: 183.2

Names & synonyms

2,4,6-Trimethoxyaniline14227-17-9EINECS 238-095-8DTXSID70161990RefChem:82132DTXCID5084481238-095-8Benzenamine, 2,4,6-trimethoxy-MFCD000171652,4,6-tri-methoxyanilineSCHEMBL1122691(2,4,6-trimethoxy-phenyl)-amine

Show more names

1406422,4,6-TrimethoxyanilinPhloroglucinol Impurity 371-AMINO-2,4,6-TRIMETHOXYBENZENE

AKOS000140047CS-W007291EN300-1762342,4,6-trimethoxybenzenamineFT-0748636A8852052,4,6-trimethoxy-phenylamine6TQ62ZN66V

Database identifiers

CAS: 14227-17-9
PubChem CID: 84271
DTXSID: DTXSID70161990
UNII: 6TQ62ZN66V
EC Number: 238-095-8
Nikkaji: J216.915K

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 53.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 29 · 29-31 °C
Boiling point: 125 · 125-127 °C(Press: 0.8 Torr)
Density: 1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 5.08 · 5.08±0.10(Predicted)
Appearance: 31 °C · Dark purple to black 31°C Liquid
InChI: InChI=1S/C9H13NO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,10H2,1-3H3
InChIKey: FNSAKXLEFPFZOM-UHFFFAOYSA-N
SMILES: C1(N)=C(OC)C=C(OC)C=C1OC
CAS DataBase Reference: 14227 · 14227-17-9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Note: Harmful
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.