N-Piperidinoethanol (HCID 18232)

概要

2-(piperidin-1-yl)ethanol is a member of the class of piperidine in which the hydrogen attached to the nitrogen atom is substituted by a 2-hydroxyethyl group. It is a primary alcohol, a member of ethanolamines, a member of piperidines and a tertiary amino compound.

名称と識別子

優先名称: N-Piperidinoethanol
IUPAC: 2-piperidin-1-ylethanol
現地名: 1-ピペリジンエタノール
英語名: 2-Piperidinoethanol
分子式: C7H15NO
分子量: 129.2

名称と別名

3040-44-62-Piperidinoethanol1-(2-Hydroxyethyl)piperidine1-PIPERIDINEETHANOLN-PiperidinoethanolN-Piperidineethanolbeta-Piperidinoethanol.beta.-PiperidinoethanolNSC 3460EINECS 221-244-6VR81F07RX51-Oxa-4-azaspiro(3.5)nonane (VAN)

名称をさらに表示

1-ピペリジンエタノール1-(2-ヒドロキシエチル)ピペリジン2-ピペリジノエタノールピペリジン-1-エタノールβ-ピペリジルエタノール1-ピペリジンエタノルN-ピペリジンエタノールN‐ピペリジンエタノールN(2-ヒドロキシエチル)ピペリジン1-(2-ヒドロキシエチルピペリジン2-(ピペリジン-1-イル)エタン-1-オールPPOHAKOS BBS-00004365PIPERIDINOETHANOLBUTTPARK 154\16-412-PIPERIDINETHANOLβ-Piperidylethanol

BRN 0103390AI3-11737NSC-34605-20-02-00101 (Beilstein Handbook Reference)DTXSID40628081-Oxa-4-azaspiro(3.5)nonane1-Oxa-4-azaspiro[3.5]nonaneRefChem:831031

データベース識別子

CAS: 3040-44-6
PubChem CID: 18232
DTXSID: DTXSID4062808
ChEMBL: CHEMBL118227
ChEBI: CHEBI:61238
UNII: VR81F07RX5
EC Number: 221-244-6
Nikkaji: J205.348I

物性

構造計算による物性

XLogP: 1
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: 69.3

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

Physical DescriptionLiquid

物理化学的性質

融点: 16 °C · 16°C
沸点: 199 · 199-202 °C (lit.)
比重(密度): 0.973 g/mL · 0.973 g/mL at 25 °C (lit.)
蒸気圧: 1.3 hPa · 1.3 hPa @ 40°C
屈折率: 20 · n20/D 1.4804(lit.)
闪点: 156 °F · 156 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム、メタノール（微量）
外見: 液体
酸解離定数(Pka): 15 · 15.00±0.10(Predicted)
比重: 0.98 · 0.98
色: やや茶色のクリア
爆発限界(explosive limit): 1.2 · 1.2-7.2
BRN: 103390 · 103390
Henry's Law Constant: 5.1 · 5.1×101 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
InChIKey: KZTWONRVIPPDKH-UHFFFAOYSA-N
SMILES: OCCN1CCCCC1
LogP: 0.62 at · 0.62 at 25℃
CAS データベース: 3040 · 3040-44-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Piperidineethanol(3040-44-6)
EPAの化学物質情報: 1 · 1-Piperidineethanol (3040-44-6)

化学的性質

化学的特性Clear Colourless Liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302+H312 (62.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P260, P261, P264, P264+P265, P270, P271, P272, P273, 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, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 166 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H227: Combustible liquid [Warning Flammable liquids]

危険有害性情報

Regulatory Information · 2 件

1-Piperidineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperidineethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 30-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26699

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

Flammable liquids - Category 4

安全データ

wgk: 3
tsca: TSCA listed
rtecs: TM8052000
ridadr: UN2735
毒性: cat,LDLo,oral,250mg/kg (250mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Journal of Pharmacology and Experimental Therapeutics. Vol. 55, Pg. 419, 1935.
hs_code: 29333999
risk_code: 22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 36/37/39
hazard_class: 8
packing_group: III
自然発火温度: 240
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 10 - Combustible liquids