3-Pyridinemethanol (HCID 7510)

概要

3-pyridinemethanol is a member of the class of pyridines that is pyridine which is substituted by a hydroxymethyl group at position 3. It has a role as a vasodilator agent and an antilipemic drug. It is a member of pyridines and an aromatic primary alcohol.

名称と識別子

優先名称: 3-Pyridinemethanol
IUPAC: pyridin-3-ylmethanol
現地名: 3-ピリジンメタノール
英語名: 3-Pyridinemethanol
分子式: C6H7NO
分子量: 109.13

名称と別名

3-PYRIDINEMETHANOL100-55-0pyridin-3-ylmethanolNicotinyl alcohol3-(Hydroxymethyl)pyridine3-Pyridylcarbinol3-PyridylmethanolNicotinic alcohol3-PyridinylmethanolPyridylcarbinolPyridine-3-carbinolPyridine-3-methanol

名称をさらに表示

3-ピリジンメタノール3-ヒドロキシメチルピリジン3-(ヒドロキシメチル)ピリジン3-ピリジルカルビノールロニコールロニアコールニコチンアルコール3-ピリジニルカルビノールピリジン-3-メタノール3-ピリジルメタノールニコチニルアルコール3ヒドロキシメチルピリジン3‐(ヒドロキシメチル)ピリジンPyridyl-3-methanolRONICOL

Pyridylmethanolbeta-PyridylcarbinolNU-21213-Picolyl alcoholbeta-Picolyl alcoholbeta-PyridinecarbinolRo-1-51553-Hydroxymethylpyridine

データベース識別子

CAS: 100-55-0
PubChem CID: 7510
DTXSID: DTXSID6023367
ChEMBL: CHEMBL1235535
ChEBI: CHEBI:45213
UNII: 9TF312056Y
EC Number: 202-864-6
Nikkaji: J4.983B

物性

構造計算による物性

XLogP: 0
極性表面積: 33.1 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: 8
形式電荷: 0
複雑度: 65.5

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines

DrugsPharmaceuticals -> Listed in ZINC15

CosmeticsTonic

SpringerMaterials PropertiesChemical shift

Vapor Pressure0.02 [mmHg]

Physical DescriptionHighly hygroscopic liquid; [Merck Index] Clear light yellow to yellow hygroscopic liquid; [Acros Organics MSDS]

物理化学的性質

融点: -7 °C · -7 °C
沸点: 154 °C/28 · 154 °C/28 mmHg (lit.)
比重(密度): 1.124 g/mL · 1.124 g/mL at 25 °C (lit.)
蒸気圧: 0.342 Pa · 0.342Pa at 20℃
屈折率: 20 · n20/D 1.545(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 1000 mg/l · 1000mg/l
酸解離定数(Pka): 13.68 · 13.68±0.10(Predicted)
外見: 液体（透明）
色: クリアライトイエロー
PH: 7 · 7-8 (100g/l, H2O, 20℃)
水溶解度: 溶ける
Merck: 14 · 14,6527
BRN: 107851 · 107851
化粧品成分の機能: トニック
InChI: 1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChIKey: MVQVNTPHUGQQHK-UHFFFAOYSA-N
SMILES: OCc1cccnc1
LogP: -0.11 at · -0.11 at 25℃
表面張力: 47.68 mN/m · 47.68 mN/m at 23°
CAS データベース: 100 · 100-55-0(CAS DataBase Reference)
NISTの化学物質情報: Nicotinyl Alcohol(100-55-0)
EPAの化学物質情報: 3 · 3-Pyridinemethanol (100-55-0)

化学的性質

化学的特性CLEAR LIGHT YELLOW TO YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (91.7%): 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 60 reports by companies from 13 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: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22223

3-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

No fetal toxicity observed in mice orally administered up to 1,000 mg/kg during organogenesis; [Shepard's Catalog of Teratogenic Agents] Intravenous LD50 (mouse) = 1,000 mg/kg; [RTECS] An irritant; Harmful by ingestion; [Acros Organics MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (91.7%)

安全データ

F: 3-10-23
wgk: 3
tsca: TSCA listed
rtecs: UT4690000
hs_code: 29333999
risk_code: 36/37/38
化審法: (5)-727
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-24/25
Hazard Classifications: Eye Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

ATC Code · 4 件

C - Cardiovascular system

QC - Cardiovascular system

MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.

用途と製造

UsesUsed to solubilize riboflavin and as a peripheral vasodilator; [Merck Index] Alcohol analog of nicotinic acid; A direct-acting peripheral vasodilator that is used in vasospasm and threatened gangrene; [ChemIDplus]

Use ClassificationCosmetics -> Tonic

General Manufacturing Information3-Pyridinemethanol: ACTIVE

応用分野

使用3-Pyridinemethanol can be used as antineoplastic and used in the synthesis of histone deacetylase inhibitors.

一般的な説明3-Pyridinemethanol, an aromatic primary alcohol, is the key moiety of many bio-active and industrially important compounds.

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]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

3-ピリジンメタノール

基本情報

概要