塩化3-ジメチルアミノ-2-メチルプロピル塩酸塩

3-Chloro-2-methylpropyl(dimethyl)ammonium chloride

HCID 3083841

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4261-67-0
標準SMILES: CC(CCl)CN(C)C.Cl
InChIKey: SOMIBONUMGNAEP-UHFFFAOYSA-N
分子式: C6H15Cl2N
平均分子量: 172.09 g/mol
単同位体質量: 171.05815484

名称と識別子

優先名称: 3-Chloro-2-methylpropyl(dimethyl)ammonium chloride
IUPAC: 3-chloro-N,N,2-trimethylpropan-1-amine;hydrochloride
現地名: 塩化3-ジメチルアミノ-2-メチルプロピル塩酸塩
英語名: 3-Dimethylamino-2-methylpropyl chloride hydrochloride
分子式: C6H15Cl2N
分子量: 172.1

名称と別名

EINECS 224-237-63-Chloro-2-methylpropyl(dimethyl)ammonium chlorideRefChem:499809224-237-64261-67-03-Dimethylamino-2-methylpropyl chloride hydrochloride3-chloro-N,N,2-trimethylpropan-1-amine hydrochloride3-chloro-N,N,2-trimethylpropan-1-amine;hydrochlorideMFCD00012514(3-CHLORO-2-METHYLPROPYL)DIMETHYLAMINE HYDROCHLORIDEN-(3-Chloro-2-methylpropyl)-N,N-dimethylamine hydrochloride1-Dimethylamino-2-methyl-3-chloropropane hydrochloride

名称をさらに表示

塩化3-ジメチルアミノ-2-メチルプロピル塩酸塩塩化3‐ジメチルアミノ‐2‐メチルプロピル塩酸塩3-ジメチルアミノ-2-メチルプロピルクロリド塩酸塩3-ジメチルアミノ-2-メチルプロピルクロリド塩酸塩, 98%塩化3-ジエチルアミノ-2-メチルプロピル塩酸塩3-クロロ-N,N,2-トリメチル-1-プロパンアミン・塩酸塩Amiodarone Impurity 4 HClAmiodarone Impurity 18(hydrochloride)3-chloro-N,N,2-trimethyl-1-propanamineDIMETHYLAMINOMETHYLPROPYL CHLORIDE HCLGAMMA-DIMETHYL-AMINO-ISOBUTYL CHLORIDE HCL3-DIMETHYLAMINO-2-METHYLPROPYL CHLORIDE HCL1-Dimethylamino-2-methyl-3-chloropropane HCl3-Chloro-2-Methyl-N,N-Dimethylpropylamine HCl1-Chloro-3-(dimethylamino)-2-methylpropaneHCl3-Dimethylamino-2-methylpropylchloriChemicalb

3-Chloro-N,N,2-trimethyl-1-propanamine Hydrochloride; 1-Chloro-2-methyl-3-(dimethylamino)propane Hydrochloride; 1-Chloro-3-(N,N-dimethylamino)-2-methylpropane Hydrochloride; 2,N,N-Trimethylaminopropyl Chloride Hydrochloride;SCHEMBL2218250DTXSID60962610N-(3-Chloro-2-methylpropyl)-N,N-AKOS027320470CS-W017630AS-692853-Chloro-N,N,2-trimethylpropan-1-amine HCl

データベース識別子

CAS: 4261-67-0
PubChem CID: 3083841
DTXSID: DTXSID60962610
EC Number: 224-237-6

物性

構造計算による物性

極性表面積: 3.2 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: 3
重原子数: 9
形式電荷: 0
複雑度: 54.5

物理化学的性質

融点: 169 · 169-173 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: Chloroform (Sparingly), Methanol (Slightly), Water (Slightly)
外見: 粉
色: ホワイトからオフホワイト
BRN: 4444785 · 4444785
安定性: Hygroscopic
InChI: InChI=1S/C6H14ClN.ClH/c1-6(4-7)5-8(2)3;/h6H,4-5H2,1-3H3;1H
InChIKey: SOMIBONUMGNAEP-UHFFFAOYSA-N
SMILES: C(C)(CCl)CN(C)C.Cl
CAS データベース: 4261 · 4261-67-0(CAS DataBase Reference)

化学的性質

化学的特性white to off-white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (69.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.