2-(N-에틸-m-톨루이디노)에탄올
2-(N-ethyl-m-toluidino)ethanol
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기본 정보
- CAS
91-88-3- 표준 SMILES
CCN(CCO)c1cccc(C)c1- InChIKey
KRNUKKZDGDAWBF-UHFFFAOYSA-N- 분자식
- C11H17NO
- 평균 분자량
- 179.26 g/mol
- 단동위원소 질량
- 179.13101416
개요
2-(n-ethyl-n-m-toluidino)ethanol is an aminotoluene.
이름 및 식별자
- 우선 이름
- 2-(N-ethyl-m-toluidino)ethanol
- IUPAC
- 2-(N-ethyl-3-methylanilino)ethanol
- 현지명
- 2-(N-에틸-m-톨루이디노)에탄올
- 영어명
- 2-(N-Ethyl-m-toluidino)ethanol
- 분자식
- C11H17NO
- 분자량
- 179.26
이름 및 동의어
91-88-32-(N-Ethyl-m-toluidino)ethanolEmery 5714N-Ethyl-N-(2-hydroxyethyl)-m-toluidineEthanol, 2-[ethyl(3-methylphenyl)amino]-ETHANOL, 2-(N-ETHYL-m-TOLUIDINO)-N-Ethyl-N-hydroxyethyl-meta-toluidineN-Hydroxyethyl-N-ethyl-m-toluidineEINECS 202-105-9NSC 89746DTXSID3021801Ethanol, 2-(ethyl(3-methylphenyl)amino)-
이름 더 보기
2-(N-에틸-m-톨루이디노)에탄올emery57142-(N-Ethyl-m-toluidiHYDROXYETHYLETHYLTOLUIDINE2-(ethyl(m-tolyl)amino)ethanol2-(n-ethyl-m-toluidino)-ethano2-(n-ethyl-n-m-toluidino)ethanol2-(Ethyl-3-methylanilino)ethanol
1ALR5X8R8W2-[ethyl(3-methylphenyl)amino]ethanolBRN 2091653NSC-89746DTXCID1018014-12-00-01819 (Beilstein Handbook Reference)N-ethyl-N-(beta-hydroxyethyl)-m-toluidinen-ethyl-n-(.beta.-hydroxyethyl)-m-toluidine
데이터베이스 식별자
- CAS
91-88-3- PubChem CID
- 7067
- DTXSID
DTXSID3021801- ChEMBL
CHEMBL3182607- ChEBI
CHEBI:190982- UNII
- 1ALR5X8R8W
- EC Number
- 202-105-9
- Nikkaji
- J31.139A
물성
구조 계산 물성보충 중
- XLogP
- 2.5
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 138
실험 및 물리화학적 성질
Collision Cross Section140.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3021801]
물리화학적 성질
- 녹는점
- -19 °C · -19 °C
- 끓는 점
- 114 · 114-115 °C/1 mmHg (lit.)
- 밀도
- 1.019 g/mL · 1.019 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.555(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to lump to clear liquid
- 산도 계수 (pKa)
- 14.67 · 14.67±0.10(Predicted)
- 색상
- White or Colorless to Yellow to Orange
- 수용성
- 불용성
- InChI
- InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3
- InChIKey
- KRNUKKZDGDAWBF-UHFFFAOYSA-N
- SMILES
- C(O)CN(CC)C1=CC=CC(C)=C1
- NIST
- 2 · Ethanol, 2-[ethyl(3-methylphenyl)amino]-(91-88-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (48.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Ethanol, 2-[ethyl(3-methylphenyl)amino]-
Ethanol, 2-ethyl(3-methylphenyl)amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 3 (48.1%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- KL1320000
- HS 번호
- 2922190090
- risk_code
- 22-41-36/37/38
- hazard_code
- Xn
- safety_code
- 26-39-37/39
- 기존화학 물질
- KE-13941
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationEthanol, 2-[ethyl(3-methylphenyl)amino]-: ACTIVE
응용 분야
용도A 2-(N-Ethyl-m-toluidino)ethanol pigment system and lipoprotein lipase are used as a new glycerol oxidase determination method for serum triglyceride. 2-(N-Ethyl-m-toluidino)ethanol is also used in quantitative structure–activity relationship (QSAR) models that are developed to predict the aquatic toxicity of chemicals to the fathead minnow (Pimephales promelas).
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