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N-(3-아미노-4-에톡시페닐)아세트아미드

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

HCID 28207
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
17026-81-2
표준 SMILES
CCOc1ccc(NC(C)=O)cc1N
InChIKey
XTXFAVHDQCHWCS-UHFFFAOYSA-N
분자식
C10H14N2O2
평균 분자량
194.23 g/mol
단동위원소 질량
194.10552769

개요

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

이름 및 식별자

우선 이름
N-(3-amino-4-ethoxyphenyl)acetamide
IUPAC
N-(3-amino-4-ethoxyphenyl)acetamide
현지명
N-(3-아미노-4-에톡시페닐)아세트아미드
영어명
N-(3-amino-4-ethoxyphenyl)acetamide
분자식
C10H14N2O2
분자량
194.23

이름 및 동의어

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
이름 더 보기
N-(3-아미노-4-에톡시페닐)아세트아미드NCI-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

데이터베이스 식별자

CAS
17026-81-2
PubChem CID
28207
DTXSID
DTXSID7020053

물성

구조 계산 물성

XLogP
0.7
극성 표면적
64.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
14
형식 전하
0
복잡도
197

실험 및 물리화학적 성질

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 · 2건

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

Brown solid; [CAMEO]

물리화학적 성질

끓는 점
330.68 °C · 330.68°C (rough estimate)
밀도
1.1444 · 1.1444 (rough estimate)
굴절률
1.5 · 1.5000 (estimate)
산도 계수 (pKa)
14.27 · 14.27±0.70(Predicted)
EPA
3 · 3-Amino-4-ethoxyacetanilide (17026-81-2)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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 · 1건

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).

화학 및 산업

용도 및 제조

Uses · 2건

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 · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

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

(1979) No Data

U.S. Production · 2건

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

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

응용 분야

일반 설명Brown powder.

공급사4 곳

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]

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEMBL
CHEMBL1531976
UNII
8W076B0J2D
EC Number
241-100-6
Nikkaji
J33.440E
Air and Water ReactionsThis chemical may be sensitive to air and light (NTP, 1992). Insoluble in water.
Hazard Classes and CategoriesEye Irrit. 2 (100%)

안전 및 보호

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

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 · 1건

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) · 1건

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)

독성 정보

Ongoing Test Status · 1건

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 · 6건

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 · 1건

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. {

안전 데이터

tsca
TSCA listed
유해 물질 데이터
17026-81-2(Hazardous Substances Data)