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N-(3-amino-4-ethoxyphenyl)acetamide

HCID 28207
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
17026-81-2
Standard SMILES
CCOc1ccc(NC(C)=O)cc1N
InChIKey
XTXFAVHDQCHWCS-UHFFFAOYSA-N
Molecular formula
C10H14N2O2
Average molar mass
194.23 g/mol
Monoisotopic mass
194.10552769

Overview

3-amino-4-ethoxyacetanilide is a brown powder. (NTP, 1992)

Names & identifiers

Preferred name
N-(3-amino-4-ethoxyphenyl)acetamide
IUPAC
N-(3-amino-4-ethoxyphenyl)acetamide
English name
N-(3-amino-4-ethoxyphenyl)acetamide
Molecular formula
C10H14N2O2
Molecular weight
194.23

Names & synonyms

N-(3-AMINO-4-ETHOXYPHENYL)ACETAMIDE3-Amino-4-ethoxyacetanilideCCRIS 29DTXSID7020053HSDB 5070Acetamide, N-(3-amino-4-ethoxyphenyl)-2-Amino-4-acetaminifenetol2-Amino-4-acetaminifenetol [Czech]EINECS 241-100-6UNII-8W076B0J2D3-Amino-4-ethoxyanilid kyseliny octove [Czech]BRN 3545784
Show more names
NCI-C01887Ncgc00090849-01AMINOETHOXYACETANILIDE4'-Ethoxy-3'-aminoacetanilide1-Acetylamino-4-ethoxy-3-aminobenzene
8W076B0J2D3'-AMINO-P-ACETOPHENETIDIDE3-Amino-4-ethoxyanilid kyseliny octoveDTXCID1053N-(3-AMINO-4-ETHOXYPHENYL)ACETAMIDE [HSDB]2-AMINO-4-ACETAMINIFENETOL (CZECH)3'-Amino-4'-Ethoxyacetanilide2Amino4acetaminifenetol

Database identifiers

CAS
17026-81-2
PubChem CID
28207
DTXSID
DTXSID7020053
ChEMBL
CHEMBL1531976
UNII
8W076B0J2D
EC Number
241-100-6
Nikkaji
J33.440E

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
197

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Solubilityless than 0.1 mg/mL at 70 °F (NTP, 1992)
Flash Point40 °C
Melting Point257 to 261 °F (NTP, 1992)
Physical Description · 2 items

3-amino-4-ethoxyacetanilide is a brown powder. (NTP, 1992)

Brown solid; [CAMEO]

Physicochemical properties

Boiling point
330.68 °C · 330.68°C (rough estimate)
Density
1.1444 · 1.1444 (rough estimate)
refractive index
1.5 · 1.5000 (estimate)
pka
14.27 · 14.27±0.70(Predicted)
Toxicology and Carcinogenesis
3 · Bioassay of 3-Amino-4-ethoxyacetanilide for Possible Carcinogenicity (CASRN 17026-81-2)
FDA UNII
8 W076B0J2D · 8W076B0J2D
EPA Substance Registry System
3 · 3-Amino-4-ethoxyacetanilide (17026-81-2)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P
TSCA
TSCA listed
Hazardous Substances Data
17026 · 17026-81-2(Hazardous Substances Data)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Hazards SummaryA mutagen and tumorigen; [RTECS] Emergency treatment: Irritants; [HSDB] May cause irritation and skin sensitization; [MSDSonline]
Reactive GroupAmides and Imides
Special ReportsDHEW/NCI; Bioassay of 3-Amino-4-ethoxyacetanilide for Possible Carcinogenicity (1978) Technical Rpt Series No. 112 DHEW Pub No. (NIH) 78-1367
Reactivity Profile · 1 item

An aromatic amine and amide. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsThis chemical may be sensitive to air and light (NTP, 1992). Insoluble in water.
Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

Toxicology

Ongoing Test Status · 1 item

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=17026-81-2]

Carcinogen Classification · 6 items

3-Amino-4-ethoxyacetanilide

TR-112: Bioassay of 3-Amino-4-ethoxyacetanilide for Possible Carcinogenicity (CASRN 17026-81-2) (1978 )

04/26/78

No Evidence

No Evidence

Clear Evidence

National Toxicology Program Studies · 1 item

A bioassay of 3-amino-4-ethoxyacetanilide for possible carcinogenicity was conducted using Fischer 344 rats and B6C3F1 mice. 3-Amino-4-ethoxyacetanilide was admin in the feed, at either of two concentrations, to groups of approximately 50 male and 50 female animals of each species. The dietary concentrations used in the chronic bioassay for low and high dose rats were 0.4 and 1.5%, respectively. The dietary concentrations used for the low and high dose mice were 0.4 and 0.8%, respectively. After a 78 wk period of chemical administration, observation of rats continued for up to 35 wk and observation of mice continued for up to 18 wk. For each species, 50 animals of each sex were placed on test as controls for low dose groups and approximately 50 animals of each sex were placed on test as controls for high dose groups. ... Under the conditions of this bioassay, 3-amino-4-ethoxyacetanilide was carcinogenic in male B6C3F1 mice, causing follicular cell carcinomas of the thyroid gland. ... /Under the conditions of this study, 3-amino-4-ethoxyacetanilide was not carcinogenic in female B6C3F1 mice or in male or in female F344/N rats. {

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P
Hazardous Substances Data
17026-81-2(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as a chemical intermediate for azo dyes (possible use); Not commercially produced in the US; [HSDB]

CHEM INT FOR AZO DYES (POSSIBLE USE)

U.S. Exports · 2 items

(1977) No Data

(1979) No Data

U.S. Imports · 2 items

(1975) 6.01X10+6 GRAMS (PRINCPL CUSTMS DISTS)

(1979) No Data

U.S. Production · 2 items

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

General Manufacturing InformationAcetamide, N-(3-amino-4-ethoxyphenyl)-: INACTIVE

Applications

General DescriptionBrown powder.

Suppliers4 total

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
南京宁凡医药科技有限公司17368696818
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

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Compound notes

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