(3-イソプロポキシベンジル)アミン

1-(3-Isopropoxyphenyl)methanamine

HCID 2760935

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 386704-11-6
標準SMILES: CC(C)Oc1cccc(CN)c1
InChIKey: YRNFZPXUBVUYBJ-UHFFFAOYSA-N
分子式: C10H15NO
平均分子量: 165.23 g/mol
単同位体質量: 165.1153641

名称と識別子

優先名称: 1-(3-Isopropoxyphenyl)methanamine
IUPAC: (3-propan-2-yloxyphenyl)methanamine
現地名: (3-イソプロポキシベンジル)アミン
英語名: 1-(3-Isopropoxyphenyl)methanamine
分子式: C10H15NO
分子量: 165.23

名称と別名

1-(3-Isopropoxyphenyl)methanamineRefChem:423925811-364-2(3-isopropoxyphenyl)methanamine400771-44-0(3-isopropoxybenzyl)amineMFCD04037891(3-propan-2-yloxyphenyl)methanamine[3-(propan-2-yloxy)phenyl]methanamine3-Isopropoxybenzyl AmineBenzenemethanamine, 3-(1-methylethoxy)-3-Isopropoxybenzylamine

名称をさらに表示

(3-イソプロポキシベンジル)アミン3-Isopropoxybenzylamine 95+%3-(Isopropoxy)benzenemethanamine(3-isopropoxyphenyl)methanamine HCl3-(1-Methylethoxy)benzenemethanamine(3-isopropoxybenzyl)amine(SALTDATA: FREE){3-[(Prop-2-yl)oxy]phenyl}methylamine, 3-(Aminomethyl)phenyl isopropyl ether

[3-(methylethoxy)phenyl]methylamine(3-iso-propoxy)benzyl amine1-[3-(propan-2-yloxy)phenyl]methanamine3-(isopropoxy)benzylamine3-isopropoxyphenylmethanamineSCHEMBL756850SCHEMBL1768209CHEMBL4590692

データベース識別子

CAS: 386704-11-6、400771-44-0
PubChem CID: 2760935
DTXSID: DTXSID00959509
ChEMBL: CHEMBL4590692
EC Number: 811-364-2

物性

構造計算による物性

XLogP: 2.2
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: 12
形式電荷: 0
複雑度: 125

物理化学的性質

沸点: 70 ℃/0.05mm · 70℃/0.05mm
比重(密度): 0.99 · 0.990±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.12 · 9.12±0.10(Predicted)
外見: oil
色: Clear, colourless

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, 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.