CAS 14367-46-5 4-methoxy-N-ethylamphetamine (HCID 85725)

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Basic information

CAS: 14367-46-5
Standard SMILES: CCNC(C)Cc1ccc(OC)cc1
InChIKey: USBWBBAUWVUJLA-UHFFFAOYSA-N
Molecular formula: C12H19NO
Average molar mass: 193.28 g/mol
Monoisotopic mass: 193.14666423

Overview

structure in first source

Names & identifiers

Preferred name: 4-methoxy-N-ethylamphetamine
IUPAC: N-ethyl-1-(4-methoxyphenyl)propan-2-amine
English name: N-ethyl-p-methoxy-alpha-methylphenethylamine
Molecular formula: C12H19NO
Molecular weight: 193.29

Names & synonyms

4-methoxy-N-ethylamphetamineRefChem:8581154-M-NEA14367-46-5N-ethyl-1-(4-methoxyphenyl)propan-2-amineN-Ethyl-p-methoxy-alpha-methylphenethylaminepara-Methoxy-N-ethylamphetamineCA3JZQ6AZCp-Methoxy-N-ethylamphetamineethyl[1-(4-methoxyphenyl)propan-2-yl]amineFormoterol Impurity 49EINECS 238-339-3

Show more names

2-Ethylamino-1-(p-methoxyphenyl)propane5F-EMB5F-EMB 5F-EMBMebeverine Impurity BN-Ethyl-4-methoxy-α-methylphenethylamineN-ethyl-p-methoxy-α-methylphenethylamineN-ethyl-1-(4-methoxyphenyl)-2-propanamine

UNII-CA3JZQ6AZCEC 238-339-3N-ethyl-4-methoxyamphetamineSCHEMBL3341793SCHEMBL3933670SCHEMBL27674698DTXSID00931981(+/-)-n-ethyl-p-methoxyamphetamine

Database identifiers

CAS: 14367-46-5

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 141

Physicochemical properties

Boiling point: 269.89 ℃[at · 269.89℃[at 101 325 Pa]
Density: 0.943 · 0.943[at 20℃]
vapor pressure: 0.793 Pa · 0.793Pa at 25℃
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 10.53 · 10.53±0.19(Predicted)
color: Clear Yellow
Water Solubility: 1.984 g/L · 1.984g/L at 25℃
LogP: 2.6 · 2.6-2.79 at 25℃
FDA UNII: 3 JZQ6AZC · CA3JZQ6AZC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22701

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesEthyl[1-(4-methoxyphenyl)propan-2-yl]amine is a useful reagent for the preparation of substituted veratric acid ester derivatives as analgesic and anti-inflammatory agents.