4-プロポキシアニリン

Benzenamine, 4-propoxy-

HCID 78221CAS 4469-80-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCOc1ccc(N)cc1
InChIKey: DWOIGSLSPPLRKO-UHFFFAOYSA-N
分子式: C9H13NO
平均分子量: 151.21 g/mol
単同位体質量: 151.09971404

名称と識別子

優先名称: Benzenamine, 4-propoxy-
IUPAC: 4-propoxyaniline
現地名: 4-プロポキシアニリン
英語名: 4-PROPOXYANILINE
分子式: C9H13NO
分子量: 151.21

名称と別名

4-Propoxyaniline4469-80-1Benzenamine, 4-propoxy-4-propoxybenzenamineEINECS 224-740-0DTXSID6063486RefChem:561906DTXCID3040352224-740-0p-Propoxyaniline4-n-PropoxyanilineMFCD00043621

名称をさらに表示

4-プロポキシアニリン4-プロポキシベンゼンアミンP-プロポキシアニリンAKOS BBB/084AKOS BC-2570TIMTEC-BB SBB0083164-propoxy-benzenamin

4-propoxyaniline hydrochloride4-propoxyphenylamineEN300-619364-Propyloxyaniline4-Propoxyaniline #Aniline, p-propoxy-4-propoxy-phenylamine3EW35D3AFQ

データベース識別子

CAS: 4469-80-1
PubChem CID: 78221
DTXSID: DTXSID6063486
UNII: 3EW35D3AFQ
EC Number: 224-740-0
Nikkaji: J205.851K

物性

構造計算による物性

XLogP: 2
極性表面積: 35.3 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: 11
形式電荷: 0
複雑度: 97

物理化学的性質

融点: 265 · 265-267℃
沸点: 261.7 · 261.7±13.0℃ (760 Torr)
比重(密度): 1.016 · 1.016±0.06 g/cm3 (20 ºC 760 Torr)
闪点: 230 °F · >230 °F
溶解性: わずかに溶けます (25°C で 1.3 g/L)。
外見: 液体
酸解離定数(Pka): 5.24 · 5.24±0.10(Predicted)
色: 茶色
InChI: InChI=1S/C9H13NO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7,10H2,1H3
InChIKey: DWOIGSLSPPLRKO-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OCCC)C=C1
CAS データベース: 4469 · 4469-80-1
EPAの化学物質情報: 4 · Benzenamine, 4-propoxy- (4469-80-1)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 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.