4-(2-ピロリジン-1-イルエチル)アニリン DIHYDROCHLORIDE

4-(2-(Pyrrolidin-1-yl)ethyl)aniline

HCID 6487047

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 168897-20-9
標準SMILES: Nc1ccc(CCN2CCCC2)cc1
InChIKey: WAOKZNBDXFOXSA-UHFFFAOYSA-N
分子式: C12H18N2
平均分子量: 190.28 g/mol
単同位体質量: 190.14699858

名称と識別子

優先名称: 4-(2-(Pyrrolidin-1-yl)ethyl)aniline
IUPAC: 4-(2-pyrrolidin-1-ylethyl)aniline
現地名: 4-(2-ピロリジン-1-イルエチル)アニリン DIHYDROCHLORIDE
英語名: 4-(2-Pyrrolidin-1-yl-ethyl)-aniline
分子式: C12H18N2
分子量: 190.28

名称と別名

168897-20-94-(2-(Pyrrolidin-1-yl)ethyl)aniline4-[2-(pyrrolidin-1-yl)ethyl]anilineDTXSID80424583RefChem:287051DTXCID50375417971-162-64-(2-pyrrolidin-1-ylethyl)aniline4-(2-PYRROLIDIN-1-YL-ETHYL)-ANILINE4-(2-Pyrrolidin-1-yl-ethyl)-phenylamineMFCD041145074-[2-(1-PYRROLIDINYL)ETHYL]ANILINE

名称をさらに表示

4-(2-ピロリジン-1-イルエチル)アニリン DIHYDROCHLORIDE4-[2-(1-ピロリジニル)エチル]アニリンTIMTEC-BB SBB010841ASINEX-REAG BAS 06706100Benzenamine, 4-[2-(1-pyrrolidinyl)ethyl]-4-[2-(1-pyrrolidinyl)ethyl]aniline(SALTDATA: 2HCl)4-[2-(1-pyrrolidinyl)ethyl]aniline dihydrochloride

4-(2-pyrrolidinylethyl)phenylamineSCHEMBL1877934CHEMBL1624672WAOKZNBDXFOXSA-UHFFFAOYSA-N4-(2-pyrrolidin-1ylethyl) anilineTGA89720SBB010841STL259668

データベース識別子

CAS: 168897-20-9
PubChem CID: 6487047
DTXSID: DTXSID80424583
ChEMBL: CHEMBL1624672
EC Number: 971-162-6

物性

構造計算による物性

XLogP: 2
極性表面積: 29.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 156

物理化学的性質

沸点: 314.9 · 314.9±17.0 °C(Predicted)
比重(密度): 1.055 · 1.055±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 10.43 · 10.43±0.20(Predicted)

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)

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