1-メチル-3-ピペリジンメタノール

(1-Methyl-3-piperidyl)methanol

HCID 97998CAS 7583-53-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CN1CCCC(CO)C1
InChIKey: UGXQXVDTGJCQHR-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-3-piperidyl)methanol
IUPAC: (1-methylpiperidin-3-yl)methanol
現地名: 1-メチル-3-ピペリジンメタノール
英語名: 1-Methyl-3-piperidinemethanol
分子式: C7H15NO
分子量: 129.2

名称と別名

3-Piperidinemethanol, 1-methyl-(1-Methyl-3-piperidyl)methanolEINECS 231-488-5NSC 66541RefChem:392365231-488-51-Methyl-3-piperidinemethanol7583-53-1(1-methylpiperidin-3-yl)methanol1-Methylpiperidine-3-methanol230294-57-23-Hydroxymethyl-1-methylpiperidine

名称をさらに表示

1-メチル-3-ピペリジンメタノール1-メチルピペリジン-3-メタノール1-メチル-3-ヒドロキシメチルピペリジン3-ヒドロキシメチル-1-メチルピペリジン(1-メチルピペリジン-3-イル)メタノール3-(ヒドロキシメチル)-1-メチルピペリジン1-Methy-3-piperidinemethanolN-Methylpiperidine-3-methanolN-METHYLPIPERIDINE-3-CARBINOLN-Methyl-3-piperidinecarbinolN-METHYL-3-PIPERIDINE METHANOLN-methyl-3-piperidinyl alcohol

MFCD00006497Hydroxymethyl-N-methylpiperidine1-Methyl-3-hydroxymethylpiperidineHydroxymethyl-?N-?methylpiperidine3-(Hydroxymethyl)-1-methylpiperidine(1-methyl-piperidin-3-yl)-methanolNSC665411-Methylpiperdin-3-ylmethanol

データベース識別子

CAS: 7583-53-1
PubChem CID: 97998
DTXSID: DTXSID80871194
EC Number: 231-488-5
Nikkaji: J62.784D

物性

構造計算による物性

XLogP: 0.3
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: 1
重原子数: 9
形式電荷: 0
複雑度: 85

物理化学的性質

沸点: 140 · 140-145 °C
比重(密度): 1.01 · 1.01
屈折率: 1.4772 · 1.4772-1.4792
闪点: 94 °C · 94 °C
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): 14.93 · 14.93±0.10(Predicted)
色: Colorless to Yellow to Orange
BRN: 103713 · 103713
CAS データベース: 7583 · 7583-53-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Methyl-3-piperidinemethanol(7583-53-1)

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information3-Piperidinemethanol, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 29333990
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 24/25-45-36/37/38-23
hazard_class: IRRITANT
packing_group: III

化学と産業

応用分野

使用Hydroxymethyl-N-methylpiperidine is used in the preparation of pyrimidines as FGFR3 tyrosine kinase inhibitors as well as for potent pyrazine c-Src inhibitors in the treatment of ischemic stroke.