[2-(3-アミノフェノキシ)エチル]ジメチルアミン DIHYDROCHLORIDE

3-[2-(Dimethylamino)ethoxy]aniline

HCID 16778205

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 181513-08-6
標準SMILES: CN(C)CCOc1cccc(N)c1
InChIKey: BMBSJDSXSMKTNV-UHFFFAOYSA-N
分子式: C10H16N2O
平均分子量: 180.25 g/mol
単同位体質量: 180.12626314

名称と識別子

優先名称: 3-[2-(Dimethylamino)ethoxy]aniline
IUPAC: 3-[2-(dimethylamino)ethoxy]aniline
現地名: [2-(3-アミノフェノキシ)エチル]ジメチルアミン DIHYDROCHLORIDE
英語名: AKOS BC-0111
分子式: C10H16N2O
分子量: 180.25

名称と別名

3-[2-(dimethylamino)ethoxy]aniline3-(2-(dimethylamino)ethoxy)anilineDTXSID60588354RefChem:496510DTXCID50539118991-371-6181513-08-6Benzenamine, 3-[2-(dimethylamino)ethoxy]-N-[2-(3-aminophenoxy)ethyl]-N,N-dimethylamineMFCD090351693-(2-(dimethylamino)ethoxy)benzenamineSCHEMBL589802

名称をさらに表示

[2-(3-アミノフェノキシ)エチル]ジメチルアミン DIHYDROCHLORIDE[2-(3-アミノフェノキシ)エチル]ジメチルアミンDIHYDROCHLORIDEAKOS BC-0111AKOS BBV-0161942-(3-aminophenoxy)ethyl]dimethylamine3-[2-(Dimethylamino)ethoxy]-benzenamine[2-(3-Aminophenoxy)ethyl]dimethylamine dihydrochloride

SCHEMBL1641682SCHEMBL24289743-(2-Dimethylaninoethoxy)anilineBMBSJDSXSMKTNV-UHFFFAOYSA-NALBB-018731AKOS000134537[2-(3-Aminophenoxy)ethyl]dimethylamine3-(2-dimethylamino-ethoxy)-phenylamine

データベース識別子

CAS: 181513-08-6
PubChem CID: 16778205
DTXSID: DTXSID60588354
EC Number: 991-371-6

物性

構造計算による物性

XLogP: 1
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: 4
重原子数: 13
形式電荷: 0
複雑度: 139

物理化学的性質

沸点: 305.4 · 305.4±22.0 °C(Predicted)
比重(密度): 1.044 · 1.044±0.06 g/cm3(Predicted)
酸解離定数(Pka): 8.75 · 8.75±0.28(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/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]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.