4-Piperidinol, 1-methyl- (HCID 66048)

名称と識別子

優先名称: 4-Piperidinol, 1-methyl-
IUPAC: 1-methylpiperidin-4-ol
現地名: 4-ヒドロキシ-1-メチルピペリジン
英語名: N-Methyl-4-piperidinol
分子式: C6H13NO
分子量: 115.17

名称と別名

1-Methylpiperidin-4-olN-Methyl-4-piperidinol4-Hydroxy-1-methylpiperidine1-Methyl-4-piperidinol4-Hydroxy-N-methylpiperidine4-Piperidinol, 1-methyl-BAUWRHPMUVYFOD-UHFFFAOYSA-EINECS 203-406-81-Methylpiperidinol-(4)AI3-27594DTXSID9059339RefChem:100402

名称をさらに表示

4-ヒドロキシ-1-メチルピペリジンN-メチル-4-ヒドロキシピペリジン4ヒドロキシNメチルピペリジン4-ヒドロキシ-N-メチルピペリジン1-メチル-4-ピペリジノール4‐ヒドロキシ‐N‐メチルピペリジン1-メチルピペリジン-4-オールN-メチル-4-ピペリジノールN-METHYL-4-HYDROXY PIPERIDINEH431NM4PPOL-4-piperidinoL

DTXCID0032994203-406-8BAUWRHPMUVYFOD-UHFFFAOYSA-NInChI=1/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3106-52-5N-Methyl-4-hydroxypiperidine1-Methyl-4-hydroxypiperidineN-Methylpiperidol

データベース識別子

CAS: 106-52-5
PubChem CID: 66048
DTXSID: DTXSID9059339
ChEMBL: CHEMBL22332
UNII: W95ZLR4RP5
EC Number: 203-406-8
Nikkaji: J1.828.792G、J14K

物性

構造計算による物性

XLogP: 0.1
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: 0
重原子数: 8
形式電荷: 0
複雑度: 66.9

物理化学的性質

融点: 29 · 29-31 °C(lit.)
沸点: 200 °C · 200 °C(lit.)
比重(密度): 0.98 g/mL · 0.98 g/mL at 20 °C(lit.)
蒸気圧: 8.13 · 8.13-11Pa at 25℃
屈折率: 20 · n20/D 1.479
闪点: 190 °F · 190 °F
貯蔵温度: 2 · 2-8°C
外見: 融解後の液体
酸解離定数(Pka): 14.87 · 14.87±0.20(Predicted)
色: 無色透明～褐色
水溶解度: 混和性
BRN: 103024 · 103024
Henry's Law Constant: 1.3 · 1.3×103 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
InChIKey: BAUWRHPMUVYFOD-UHFFFAOYSA-N
SMILES: CN1CCC(O)CC1
LogP: -0.14 · -0.14-0.756 at 25℃
CAS データベース: 106 · 106-52-5(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Hydroxy-N-methylpiperidine(106-52-5)
EPAの化学物質情報: 4 · 4-Piperidinol, 1-methyl- (106-52-5)

化学的性質

化学的特性clear colorless to yellowish liquid after melting

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 49.1% (52 of 106) of reports.

Danger

H315 (45.3%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 106 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19249

1-Methyl-4-piperidinol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (45.3%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29333999
risk_code: 37/38-41-36/37/38-34
化審法: (9)-1463
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-37/39-45-36/37/39-27
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing Information4-Piperidinol, 1-methyl-: ACTIVE

応用分野 · 2 件

用途有機合成原料。

使用Reactant for:• ;Optimization of Novobiocin scaffold to product antitumor agents1• ;Substitution about the rigidifying ring for histamine H4 receptor antagonist synthesis2Reactant for synthesis of:• ;CaMKII inhibitors3• ;VEGFR and FGFR kinase inhibitors4• ;Phosphoinositide-3-kinase inhibitors5• ;Protein lysine methyltransferase G9a inhibitors6

上流・下流製品情報

上流原料

下流製品

4-(1-Methylpiperidin-4-yloxy)-3,5-dichlorobenzenamine 2-chloro-6-(1-methylpiperidin-4-yloxy)pyridin-4-amine 4-ヨード安息香酸1-メチルピペリジン-4β-イル 4-Iodo-1-Methyl-piperidine 6-[(1-methylpiperidin-4-yl)oxy]pyridin-3-amine

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

4-ヒドロキシ-1-メチルピペリジン

基本情報