Piperidin-3-ylmethanol (HCID 107308)

名称と識別子

優先名称: Piperidin-3-ylmethanol
IUPAC: piperidin-3-ylmethanol
現地名: 3-(ヒドロキシメチル)ピペリジン
英語名: 3-Piperidinemethanol
分子式: C6H13NO
分子量: 115.17

名称と別名

3-Piperidinemethanol4606-65-9Piperidin-3-ylmethanolEINECS 225-013-0VUNPWIPIOOMCPT-UHFFFAOYSA-DTXSID60871091RefChem:863486DTXCID00818763225-013-0InChI=1/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H23-(Hydroxymethyl)piperidine3-Hydroxymethylpiperidine

名称をさらに表示

3-(ヒドロキシメチル)ピペリジン3ピペリジンメタノ-ル3-ピペリジンメタノール3-ヒドロキシメチルピペリジン1-ethoxycarbonylRARECHEM AM LA 00733-piperidine Methano3-Piperidinecarbinol3-Piperidinyl carbinol3- piperidinyl alcohol(3-PIPERIDINYL)METHANOL

Piperidin-3-Yl-Methanol(piperidin-3-yl)methanol3-piperidylmethanolpiperidine-3-methanol3-Piperidine MethanolMFCD000059973-Piperidinylmethanol3-piperdinemethanol

データベース識別子

CAS: 4606-65-9
PubChem CID: 107308
DTXSID: DTXSID60871091
EC Number: 225-013-0
Nikkaji: J236.355K

物性

構造計算による物性

XLogP: -0.1
極性表面積: 32.3 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: 8
形式電荷: 0
複雑度: 65.5

物理化学的性質

融点: 106 · 106-107°C
沸点: 106 · 106-107 °C3.5 mm Hg(lit.)
比重(密度): 1.026 g/mL · 1.026 g/mL at 25 °C(lit.)
屈折率: 1.494 · 1.4940
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム（微量）、DMSO（微量、超音波処理）、メタノール（微量）
外見: 液体
酸解離定数(Pka): 14.93 · 14.93±0.10(Predicted)
色: クリア
BRN: 103058 · 103058
InChI: InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2
InChIKey: VUNPWIPIOOMCPT-UHFFFAOYSA-N
SMILES: N1CCCC(CO)C1
CAS データベース: 4606 · 4606-65-9(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3-Piperidinemethanol(4606-65-9)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information3-Piperidinemethanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 2
ridadr: UN 3263 8/PG 2
hs_code: 29333990
risk_code: 34
化審法: (5)-3729
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用3-Piperidinemethanol can be used as reactants for synthesis of: CB2 receptor agonists for the treatment of chronic pain Spiroimidazolidinone NPC1L1 inhibitors Quorum sensing modulators Protein lysine methyltransferase G9a inhibitors P2Y12 antagonists for inhibition of platelet aggregation Soluble epoxide hydrolase inhibitors

一般的な説明The standard molar energy of combustion of 3-Piperidinemethanol has been studied.