2-(2-ヒドロキシエチル)-1-メチルピロリジン

1-Methyl-2-pyrrolidineethanol

HCID 93363CAS 67004-64-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CN1CCCC1CCO
InChIKey: FYVMBPXFPFAECB-UHFFFAOYSA-N
分子式: C7H15NO
平均分子量: 129.2 g/mol
単同位体質量: 129.1153641

名称と識別子

優先名称: 1-Methyl-2-pyrrolidineethanol
IUPAC: 2-(1-methylpyrrolidin-2-yl)ethanol
現地名: 2-(2-ヒドロキシエチル)-1-メチルピロリジン
英語名: 1-Methyl-2-pyrrolidineethanol
分子式: C7H15NO
分子量: 129.2

名称と別名

1-Methyl-2-pyrrolidineethanol67004-64-22-Pyrrolidineethanol, 1-methyl-UNII-46PY6SCZ39EINECS 266-538-546PY6SCZ392-(n-methylpyrrolidin-2-yl)ethanol2-(2-Hydroxyethyl)-N-methylpyrrolidineN-methyl-2-(2-hydroxyethyl)pyrrolidineRefChem:762481-METHYL-2-PYRROLIDINEETHANOL, (+-)-266-538-5

名称をさらに表示

2-(2-ヒドロキシエチル)-1-メチルピロリジン(+)-1-メチル-2-ピロリジンエタノール1-メチル-2-ピロリジンエタノール1-メチルピロリジン-2-エタノール(-)-1-メチル-2-ピロリジンエタノール1‐メチル‐2‐ピロリジンエタノール2-(1-メチルピロリジン-2-イル)エタノールDL-2-(N-メチルピロリジン-2-イル)エタノール2-(2-HYDROXYETHYL)-N-METHYL-PYRROLIDINEClemastine Impurity DClemastine EP Impurity DHYDROXYETHYLMETHYLPYRROLIDINE1-Methylpyrrolidine-2-EthanolN-METHYL-2-PYRROLIDINEETHANOL

FYVMBPXFPFAECB-UHFFFAOYSA-N2-(1-methylpyrrolidin-2-yl)ethanol1-Methyl-2-pyrrolidine ethanol2-(2-Hydroxyethyl)-1-methylpyrrolidineClemastine Impurity 42-(1-methylpyrrolidin-2-yl)ethan-1-olMFCD000031742-(1-Methyl-2-pyrrolidine)ethanol

データベース識別子

CAS: 67004-64-2
PubChem CID: 93363
DTXSID: DTXSID40985827
UNII: 46PY6SCZ39
EC Number: 266-538-5
Nikkaji: J149.938F、J25.984E、J25.985C

物性

構造計算による物性

XLogP: 0.5
極性表面積: 23.5 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: 2
重原子数: 9
形式電荷: 0
複雑度: 85

物理化学的性質

沸点: 110 · 110-112 °C14 mm Hg(lit.)
比重(密度): 0.951 g/mL · 0.951 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4713(lit.)
闪点: 184 °F · 184 °F
貯蔵温度: 2 · 2-8°C(protect from light)
外見: clear liquid
酸解離定数(Pka): 15.03 · 15.03±0.10(Predicted)
色: Colorless to Red to Green
InChI: InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3
InChIKey: FYVMBPXFPFAECB-UHFFFAOYSA-N
SMILES: N1(C)CCCC1CCO
CAS データベース: 67004 · 67004-64-2(CAS DataBase Reference)

化学的性質

化学的特性clear yellow to brownish liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 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.