(4-アミノフェニル)(モルホリノ)メタノン

4-(Morpholine-4-carbonyl)aniline

HCID 577815

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 51207-86-4
標準SMILES: Nc1ccc(C(=O)N2CCOCC2)cc1
InChIKey: WEHVQIQNGXWTME-UHFFFAOYSA-N
分子式: C11H14N2O2
平均分子量: 206.24 g/mol
単同位体質量: 206.10552769

名称と識別子

優先名称: 4-(Morpholine-4-carbonyl)aniline
IUPAC: (4-aminophenyl)-morpholin-4-ylmethanone
現地名: (4-アミノフェニル)(モルホリノ)メタノン
英語名: (4-Amino-phenyl)-morpholin-4-yl-methanone
分子式: C11H14N2O2
分子量: 206.24

名称と別名

(4-aminophenyl)(morpholino)methanone4-(morpholine-4-carbonyl)anilineRefChem:516444672-072-751207-86-4p-Aminobenzoylmorpholine(4-aminophenyl)-morpholin-4-ylmethanoneMFCD001587884-aminobenzoylmorpholineMorpholine, 4-(4-aminobenzoyl)-4-(morpholin-4-ylcarbonyl)aniline(4-Amino-phenyl)-morpholin-4-yl-methanone

名称をさらに表示

(4-アミノフェニル)(モルホリノ)メタノンP-アミノベンゾイルモルホリン4-(モルホリノカルボニル)アニリンモルホリノ(4-アミノフェニル)ケトン4-(モルホリン-4-カルボニル)アニリン4-アミノフェニルモルホリノケトンAKOS B000462N-(p-AMinobenBUTTPARK 19\02-43TIMTEC-BB SBB000456ART-CHEM-BB B000462CHEMBRDG-BB 30004624-(4-AMinobenzoyl)Morpholine4-(p-AMinobenzoyl)Morpholine4-AMINOBENZOIC ACID, MORPHOLIDE

(4-aminophenyl)morpholin-4-yl-methanoneDTXSID30342021HMS1537J104-(morpholin-4-ylcarbonyl)phenylamineAKOS000111604CS-W021099(4-Aminophenyl)morpholin-4-ylmethanone(4-aminophenyl)(morpholin-4-yl)methanone

データベース識別子

CAS: 51207-86-4
PubChem CID: 577815
DTXSID: DTXSID30342021
EC Number: 672-072-7
Nikkaji: J1.310.823D

物性

構造計算による物性

XLogP: 0.3
極性表面積: 55.6 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: 1
重原子数: 15
形式電荷: 0
複雑度: 219

物理化学的性質

融点: 132 · 132-135°C
沸点: 426.9 · 426.9±40.0 °C(Predicted)
比重(密度): 1.228 · 1.228±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 3.43 · 3.43±0.10(Predicted)
CAS データベース: 51207 · 51207-86-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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]；H332 (100%): 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, 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 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2934999090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT

化学と産業

応用分野

使用(4-Amino-Phenyl)-Morpholin-4-yl-Methanone is an morpholine derivative used in the preparation of tyrosine kinase inhibitors and other biologically active agents.