1-アミノアセトン塩酸塩

2-Propanone, 1-amino-, hydrochloride

HCID 3084025

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7737-17-9
標準SMILES: CC(=O)CN.Cl
InChIKey: RUCLDQBBIJKQHO-UHFFFAOYSA-N
分子式: C3H8ClNO
平均分子量: 109.55 g/mol
単同位体質量: 109.02944156

名称と識別子

優先名称: 2-Propanone, 1-amino-, hydrochloride
IUPAC: 1-aminopropan-2-one;hydrochloride
現地名: 1-アミノアセトン塩酸塩
英語名: Aminoacetone hydrochloride
分子式: C3H8ClNO
分子量: 109.55472

名称と別名

Aminoacetone hydrochloride7737-17-92-Propanone, 1-amino-, hydrochlorideDTXSID80228088RefChem:557529DTXCID00150579231-798-01-aminopropan-2-one hydrochloride1-Aminoacetone hydrochlorideAminoacetone HCl1-AMINOPROPAN-2-ONE HCL1-aminopropan-2-one;hydrochloride

名称をさらに表示

1-アミノアセトン塩酸塩アミノアセトン塩酸塩1-アミノ-2-プロパノン・塩酸塩2-OxopropylaMMoniuM Chloride1-Aminoacetone hydrochloride, >=95%2-Propanone, 1-aMino-,hydrochloride (8CI,9CI)AMINOACETONE HYDROCHLORIDE ISO 9001：2015 REACH

MFCD00056125Aminoacetone (hydrochloride)EINECS 231-798-01-aminopropan-2-one hydrochloride saltSCHEMBL10279511-Amino-2-propanone hydrochlorideNSC 159195PB43448

データベース識別子

CAS: 7737-17-9
PubChem CID: 3084025
DTXSID: DTXSID80228088
EC Number: 231-798-0

物性

構造計算による物性

極性表面積: 43.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 42.2

物理化学的性質

融点: 73 · 73-74 °C
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: 25 mg/ml; · DMF: 25 mg/ml; DMSO: 15 mg/ml; Ethanol: 10 mg/ml; PBS (pH 7.2): 10 mg/ml
外見: A crystalline solid
色: Off-white to yellow
安定性: Hygroscopic
InChI: InChI=1S/C3H7NO.ClH/c1-3(5)2-4;/h2,4H2,1H3;1H
InChIKey: RUCLDQBBIJKQHO-UHFFFAOYSA-N
SMILES: C(=O)(C)CN.Cl

化学的性質

化学的特性White to Off-White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)

安全データ

wgk: WGK 3
Hazard Classifications: Eye Dam. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

説明Aminoacetone is a threonine and glycine catabolite that can be converted to methylglyoxal by amine oxidases. It has been identified as one of several endogenous sources of methylglyoxal found in the plasma of diabetes patients. As a pro-oxidant, 0.10-5 mM aminoacetone can induce cell death in RINm5f pancreatic β-cells. Aminoacetone is used as a growth substrate for Pseudomonas.