2-[4-(メチルスルホニル)フェニル]エチルアミン

2-(4-Methanesulfonylphenyl)ethan-1-amine

HCID 2760957

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 153402-45-0
標準SMILES: CS(=O)(=O)c1ccc(CCN)cc1
InChIKey: XFXSJOHJDZJFCP-UHFFFAOYSA-N
分子式: C9H13NO2S
平均分子量: 199.27 g/mol
単同位体質量: 199.06669983

名称と識別子

優先名称: 2-(4-Methanesulfonylphenyl)ethan-1-amine
IUPAC: 2-(4-methylsulfonylphenyl)ethanamine
現地名: 2-[4-(メチルスルホニル)フェニル]エチルアミン
英語名: 2-(4-Methylsulfonyl-phenyl)-ethylamine
分子式: C9H13NO2S
分子量: 199.27

名称と別名

153402-45-02-(4-METHANESULFONYLPHENYL)ETHAN-1-AMINERefChem:457866818-378-82-[4-(Methylsulfonyl)phenyl]ethylamine2-(4-methylsulfonylphenyl)ethanamineMFCD084490422-(4-METHYLSULFONYL-PHENYL)-ETHYLAMINE4-(Methylsulfonyl)-benzeneethanamine2-(4-(methylsulfonyl)phenyl)ethylamine2-(4-(METHYLSULFONYL)PHENYL)ETHANAMINEBenzeneethanamine, 4-(methylsulfonyl)-

名称をさらに表示

2-[4-(メチルスルホニル)フェニル]エチルアミン2-(4-Methanesulfonyl-phenyl)-ethylamine2-(4-(Methylsulfonyl)phenyl)ethan-1-amine

SCHEMBL1251844SCHEMBL277303262-[4-(Mesulfonyl)phenyl]EtamineXFXSJOHJDZJFCP-UHFFFAOYSA-NDGA40245(4-methanesulfonyl-benzyl)methylamineAKOS006032786AB45420

データベース識別子

CAS: 153402-45-0
PubChem CID: 2760957
EC Number: 818-378-8
Nikkaji: J986.569A

物性

構造計算による物性

XLogP: 0.5
極性表面積: 68.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 235

物理化学的性質

沸点: 377.1 · 377.1±34.0 °C(Predicted)
比重(密度): 1.188 · 1.188±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 9.34 · 9.34±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

上流・下流製品情報

上流原料

3-[4-(メチルスルホニル)フェニル]プロパン酸

サプライヤー33 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

化合物ノート

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