2-(2-ナフチル)エタンアミン

2-(2-Naphthyl)ethyl-amine

HCID 3784378CAS 2017-68-7

部分構造検索類似構造を探す

基本情報

標準SMILES: NCCc1ccc2ccccc2c1
InChIKey: ZOBYXAWBGJRPRG-UHFFFAOYSA-N
分子式: C12H13N
平均分子量: 171.24 g/mol
単同位体質量: 171.10479942

概要

structure in first source

名称と識別子

優先名称: 2-(2-Naphthyl)ethyl-amine
IUPAC: 2-naphthalen-2-ylethanamine
現地名: 2-(2-ナフチル)エタンアミン
英語名: 2-Naphthalen-2-yl-ethylamine
分子式: C12H13N
分子量: 171.24

名称と別名

2-(2-naphthyl)ethyl-amineRefChem:4615822017-68-72-(naphthalen-2-yl)ethanamine2-Naphthalen-2-yl-ethylamine2-Naphthaleneethanamine2-naphthalen-2-ylethanamine2-(2-NAPHTHYL)ETHANAMINE2-(NAPHTHALEN-2-YL)ETHAN-1-AMINEMFCD015298682-Naphthalen-2-ylethylaminenaphth-2-ylethyl amine

名称をさらに表示

2-(2-ナフチル)エタンアミンナフタレン-2-エタンアミン2-(ナフタレン-2-イル)エタン-1-アミンRARECHEM AL BW 0248CHEMBRDG-BB 4004145SALOR-INT L300306-1EA2-phthalen-2-yl-ethylamine2-NAPHTHALEN-2-YL-ETHYLAMIN2-(2-naphthalenyl)ethanamine2-(naphthalen-6-yl)ethanamine

2-Naphth-2-ylethylamine2-(2-naphthyl)ethyl amineSCHEMBL38430SCHEMBL132340SCHEMBL6038388SCHEMBL9527298SCHEMBL10721028SCHEMBL29860016

データベース識別子

CAS: 2017-68-7
PubChem CID: 3784378
DTXSID: DTXSID60396370
EC Number: 809-206-2
Nikkaji: J1.958.607C

物性

構造計算による物性

XLogP: 2.9
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 155

物理化学的性質

沸点: 160 · 160-165 °C(Press: 15 Torr)
比重(密度): 1.069 · 1.069±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
酸解離定数(Pka): 9.84 · 9.84±0.10(Predicted)
外見: Semi-Solid
色: Pale Yellow to Light Yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.