N-[2-(4-アミノ-3-メチルフェニルエチルアミノ)エチル]メタンスルホンアミド

4-Amino-3-methyl-N-ethyl-N-(beta-(methanesulfonamido)ethyl)aniline

HCID 66693CAS 92-09-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1
InChIKey: NPKFETRYYSUTEC-UHFFFAOYSA-N
分子式: C12H21N3O2S
平均分子量: 271.38 g/mol
単同位体質量: 271.13544791

概要

used in film laboratories; causes contact dermatitis & lichenoid reactions; RN given refers to parent cpd

名称と識別子

優先名称: 4-Amino-3-methyl-N-ethyl-N-(beta-(methanesulfonamido)ethyl)aniline
IUPAC: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide
現地名: N-[2-(4-アミノ-3-メチルフェニルエチルアミノ)エチル]メタンスルホンアミド
英語名: N-[2-[(4-amino-m-tolyl)ethylamino]ethyl]methanesulphonamide
分子式: C12H21N3O2S
分子量: 271.37904

名称と別名

92-09-1CD 3 Color developerMethanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-6VOV6V71VON-(2-((4-amino-3-methylphenyl)(ethyl)amino)ethyl)methanesulfonamideNSC-517164Methanesulfonamide, N-(2-((4-amino-3-methylphenyl)ethylamino)ethyl)-DTXSID40437794-Amino-N-ethyl-N-(beta-methanesulfonamidoethyl)-m-toluidineMethanesulfonamide, N-(2-(4-amino-N-ethyl-m-toluidino)ethyl)-N-{2-[(4-amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide4-amino-3-methyl-n-ethyl-n-[beta-(methanesulfonamido)ethyl]aniline

名称をさらに表示

N-エチル-N-(2-メチルスルホニルアミノエチル)-3-メチル-1,4-ベンゼンジアミンN-[2-[(4-アミノ-3-メチルフェニル)エチルアミノ]エチル]メタンスルホンアミド4-アミノ-3-メチル-N-エチル-N-[2-(メチルスルホニルアミノ)エチル]アニリンN'-エチル-N'-[2-(メチルスルホニルアミノ)エチル]-2-メチル-1,4-フェニレンジアミンN-[2-[N-(4-アミノ-3-メチルフェニル)-N-エチルアミノ]エチル]メタンスルホンアミドN-[2-(4-アミノ-3-メチルフェニルエチルアミノ)エチル]メタンスルホンアミド4-アミノ-N-エチル-N-(2-メチルスルホンアミドエチル)-m-トルイジンN-エチル-N-[2-[(メチルスルホニル)アミノ]エチル]-3-メチル-1,4-ベンゼンジアミンN-[2-[エチル(4-アミノ-3-メチルフェニル)アミノ]エチル]メタンスルホンアミドN-エチル-N-[2-(メチルスルホニルアミノ)エチル]-3-メチル-1,4-フェニレンジアミンN-[2-(4-アミノ-N-エチル-m-トルイジノ)エチル]メタンスルホンアミドN-エチル-N-[2-(メタンスルホニルアミノ)エチル]-3-メチル-1,4-フェニレンジアミンN-[2-[(4-amino-m-tolyl)ethylamino]ethyl]methanesulphonamideMethanesulfonamide, N-2-(4-amino-3-methylphenyl)ethylaminoethyl-N-Ethyl-N-(2-methylsulfonylaminoethyl)-3-methyl-1,4-benzenediamineN-[2-[N-(4-Amino-3-methylphenyl)-N-ethylamino]ethyl]methanesulfonamideN-Ethyl-N-[2-[(methylsulfonyl)amino]ethyl]-3-methyl-1,4-benzenediamineN-Ethyl-N-[2-(methylsulfonylamino)ethyl]-3-methyl-1,4-phenylenediamineN'-Ethyl-N'-[2-(methylsulfonylamino)ethyl]-2-methyl-1,4-phenylenediamine

Methanesulfonamide, N-[2-(4-amino-N-ethyl-m-toluidino)ethyl]-4-amino-3-methyl-n-ethyl-n-(beta-(methanesulfonamido)ethyl)anilineCD-3 color developerRefChem:824255DTXCID2023779202-124-2N-[2-(4-Amino-N-ethyl-m-toluidino)ethyl]methanesulfonamideN-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide

データベース識別子

CAS: 92-09-1
PubChem CID: 66693
DTXSID: DTXSID4043779
ChEMBL: CHEMBL580441
UNII: 6VOV6V71VO
EC Number: 202-124-2
Nikkaji: J38.242F

物性

構造計算による物性

XLogP: 1.2
極性表面積: 83.8 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 18
形式電荷: 0
複雑度: 340

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

Physical DescriptionOff-white to beige odorless crystalline solid; [Kodak MSDS]

物理化学的性質

沸点: 455 · 455.0±55.0 °C(Predicted)
比重(密度): 1.22 at · 1.22 at 20℃
蒸気圧: 0 · 0-0Pa at 20-25℃
外見: Solid:particulate/powder
酸解離定数(Pka): 10.95 · 10.95±0.40(Predicted)
LogP: 0.822 at · 0.822 at 25℃ and pH7.5
EPAの化学物質情報: 2 · Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]- (92-09-1)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Danger

H290 (25%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P390, P391, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-

Status: Active Update: 20-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27699

N-(2-((4-Amino-m-tolyl)ethylamino)ethyl)methanesulfhonamide: 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.

Hazards Summary · 1 件

Can cause skin sensitization; [Marks] May form explosive dust-air mixtures; A skin and eye irritant; May cause skin sensitization (positive results in human test); May cause kidney injury, based on animal studies (targets kidney in oral lethal-dose study of male rats); Harmful by ingestion and inhalation; [Kodak MSDS]

Hazard Classes and CategoriesMet. Corr. 1 (25%)

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

安全データ

tsca: TSCA listed

化学と産業

用途と製造

Uses · 2 件

Used as professional photographic processing chemical; [Kodak MSDS]

Photographic Processing [Category: Other]

General Manufacturing InformationMethanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-: ACTIVE

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