4-[2-アミノ-4-(トリフルオロメチル)フェニル]モルホリン

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine

HCID 136624CAS 784-57-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIKey: CNVOJNRNRNAOOP-UHFFFAOYSA-N
分子式: C11H13F3N2O
平均分子量: 246.23 g/mol
単同位体質量: 246.09799753

名称と識別子

優先名称: N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
IUPAC: 2-morpholin-4-yl-5-(trifluoromethyl)aniline
現地名: 4-[2-アミノ-4-(トリフルオロメチル)フェニル]モルホリン
英語名: 3-Amino-4-(4-morpholino)benzotrifluoride
分子式: C11H13F3N2O
分子量: 246.23

名称と別名

784-57-62-(morpholin-4-yl)-5-(trifluoromethyl)anilinen-[2-amino-4-(trifluoromethyl)phenyl]morpholineN-(2-Amino-4-(trifluoromethyl)phenyl)morpholineDTXSID10229063RefChem:824879DTXCID30151554670-893-52-morpholino-5-(trifluoromethyl)aniline2-morpholin-4-yl-5-(trifluoromethyl)aniline3-amino-4-(4-morpholino)benzotrifluoride2-(4-morpholinyl)-5-(trifluoromethyl)aniline

名称をさらに表示

4-[2-アミノ-4-(トリフルオロメチル)フェニル]モルホリンN-[2-アミノ-4-(トリフルオロメチル)フェニル]モルホリンN-(2-アミノ-4-トリフルオロメチルフェニル)モルホリン2-(モルホリン-4-イル)-5-(トリフルオロメチル)アニリンAKOS BB-8567AKOS B033323AURORA 23185ASISCHEM U96976Compound Fr13574BUTTPARK 44\09-68AKOS BBS-00002875OTAVA-BB BB72165123093-Amino-4-(Morpholino)Benzotrifluori

MFCD00042160n-[2-amino-4-(trifluoromethyl)phenyl]-morpholineN-(2-Amino-4-trifluoromethylphenyl)morpholine2-morpholin-4-yl-5-(trifluoromethyl)phenylamineEnamine_0010602-Morpholin-4-yl-5-trifluoromethyl-phenylamine4-[2-amino-4-(trifluoromethyl)phenyl]morpholineMLS001007011

データベース識別子

CAS: 784-57-6
PubChem CID: 136624
DTXSID: DTXSID10229063
ChEMBL: CHEMBL1492269
EC Number: 670-893-5
Nikkaji: J265.922K

物性

構造計算による物性

XLogP: 1.9
極性表面積: 38.5 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 254

実験および物理化学的性質

Solubility36.7 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 127 · 127-128°C
貯蔵温度: 2 · 2-8°C(protect from light)
水溶解度: 水に不溶。
BRN: 213147 · 213147
CAS データベース: 784 · 784-57-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302+H312 (84.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (84.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (15.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P316, P317, 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 45 reports by companies from 5 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 3 (84.4%)；Acute Tox. 4 (15.6%)；STOT SE 3 (100%)