1-Naphthaleneethanamine

HCID 20853

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4735-50-6
標準SMILES: NCCc1cccc2ccccc12
InChIKey: RUJHATQMIMUYKD-UHFFFAOYSA-N
分子式: C12H13N
平均分子量: 171.24 g/mol
単同位体質量: 171.10479942

名称と識別子

優先名称: 1-Naphthaleneethanamine
IUPAC: 2-naphthalen-1-ylethanamine
英語名: 1-NaphthaleneethanaMine HCl
分子式: C12H13N
分子量: 171.24

名称と別名

4735-50-61-Naphthaleneethanamine1-NAPHTHALENEETHYLAMINE2-(1-Naphthyl)ethylamine1-(2-Aminoethyl)naphthaleneBRN 11010131-Naphthaleneethanamine (9CI)DTXSID901971154-12-00-03213 (Beilstein Handbook Reference)RefChem:76467DTXCID00119606RUJHATQMIMUYKD-UHFFFAOYSA-N

名称をさらに表示

3-(naphthalen-1-yl)propan-1-amine hydrochloride

2-(naphthalen-1-yl)ethanamine2-(1-naphthyl)ethanamine2-(Naphthalen-1-Yl)Ethan-1-Amine2-naphthalen-1-ylethanaminenaphthylethylamine1-Naphthaleneethanamine HClMFCD015298662-(1-naphthyl)ethanamine hydrochloride

データベース識別子

CAS: 4735-50-6
PubChem CID: 20853
DTXSID: DTXSID90197115
EC Number: 870-773-4
Nikkaji: J58.157G

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

融点: 212 · 212-213 °C (decomp)
沸点: 170 · 170-173 °C(Press: 16 Torr)
比重(密度): 1.069 · 1.069±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 9.78 · 9.78±0.10(Predicted)
InChI: InChI=1S/C12H13N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,13H2
InChIKey: RUJHATQMIMUYKD-UHFFFAOYSA-N
SMILES: C1(CCN)=C2C(C=CC=C2)=CC=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, 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.