2-(モルホリン-4-イルメチル)アニリン

2-(Morpholin-4-ylmethyl)aniline

HCID 6484555

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 95539-61-0
標準SMILES: Nc1ccccc1CN1CCOCC1
InChIKey: BNBJMXCRCHPDIG-UHFFFAOYSA-N
分子式: C11H16N2O
平均分子量: 192.26 g/mol
単同位体質量: 192.12626314

名称と識別子

優先名称: 2-(Morpholin-4-ylmethyl)aniline
IUPAC: 2-(morpholin-4-ylmethyl)aniline
現地名: 2-(モルホリン-4-イルメチル)アニリン
英語名: 2-(Morpholin-4-ylmethyl)aniline
分子式: C11H16N2O
分子量: 192.26

名称と別名

2-(morpholin-4-ylmethyl)aniline95539-61-0DTXSID20424461RefChem:254409DTXCID50375295833-299-92-(MORPHOLINOMETHYL)ANILINE2-Morpholin-4-ylmethyl-phenylamine2-Morpholin-4-ylmethyl-aniline2-[(morpholin-4-yl)methyl]anilineMFCD041145052-(morpholin-4-ylmethyl)phenylamine

名称をさらに表示

2-(モルホリン-4-イルメチル)アニリンAKOS BB-8886CHEMBRDG-BB 40138104-(o-aminobenzyl)morpholine1-amino-2-(N-morpholinomethyl)benzeneBenzenamine, 2-(4-morpholinylmethyl)-2-(morpholin-4-ylmethyl)aniline(SALTDATA: H2SO4 2H2O)

2-(4-morpholinylmethyl)aniline4-(2-aminobenzyl)morpholineorb3031199SCHEMBL2338990BNBJMXCRCHPDIG-UHFFFAOYSA-NFr12759SBB014877STK744308

データベース識別子

CAS: 95539-61-0
PubChem CID: 6484555
DTXSID: DTXSID20424461
EC Number: 833-299-9

物性

構造計算による物性

XLogP: 0.7
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: 3
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 169

物理化学的性質

融点: 70 °C · 70 °C
沸点: 150 · 150-152 °C(Press: 4 Torr)
比重(密度): 1.136 · 1.136±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 6.42 · 6.42±0.20(Predicted)
外見: crystalline powder
色: Yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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, P305+P354+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 3 reports by companies from 3 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.