2-[(ジメチルアミノ)メチル]-4-チアゾールメタノール

(2-((Dimethylamino)methyl)thiazol-4-yl)methanol

HCID 1838020CAS 78441-69-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)Cc1nc(CO)cs1
InChIKey: BIEFSXASVIQOOS-UHFFFAOYSA-N
分子式: C7H12N2OS
平均分子量: 172.25 g/mol
単同位体質量: 172.06703418

名称と識別子

優先名称: (2-((Dimethylamino)methyl)thiazol-4-yl)methanol
IUPAC: [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol
現地名: 2-[(ジメチルアミノ)メチル]-4-チアゾールメタノール
英語名: 2-(Dimethylaminomethyl)-4-thiazolemethanol
分子式: C7H12N2OS
分子量: 172.25

名称と別名

(2-((dimethylamino)methyl)thiazol-4-yl)methanol[2-[(dimethylamino)methyl]thiazol-4-yl]methanolRefChem:394784809-745-378441-69-7{2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methanol2-(Dimethylaminomethyl)-4-thiazolemethanolNizatidine EP Impurity J[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol6K6QKG6ALNMFCD064076474-Thiazolemethanol, 2-[(dimethylamino)methyl]-

名称をさらに表示

2-[(ジメチルアミノ)メチル]-4-チアゾールメタノールCBI-BB ZERO/005461Nizatidine Impurity 15Nizatidine EP impurity 12-(Dimethylaminomethyl)-4-thiazolemethano2-(Dimethylaminomethyl)thiazole-4-methanol[2-[(dimethylamino)methyl]-4-thiazolyl]methanolNizatidine Impurity 10(Nizatidine EP Impurity J)

2-Dimethylaminomethyl-4-hydroxymethylthiazole2-[(Dimethylamino)methyl]-4-thiazolemethanolUNII-6K6QKG6ALNNizatidine impurity J [EP](2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl)methanol2-((Dimethylamino)methyl)-4-thiazolemethanol(2-Dimethylaminomethyl-thiazol-4-yl)-methanol4-Thiazolemethanol, 2-((dimethylamino)methyl)-

データベース識別子

CAS: 78441-69-7
PubChem CID: 1838020
DTXSID: DTXSID30365356
UNII: 6K6QKG6ALN
EC Number: 809-745-3
Nikkaji: J470.155K

物性

構造計算による物性

XLogP: 0
極性表面積: 64.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 121

物理化学的性質

沸点: 273.1 · 273.1±25.0 °C(Predicted)
比重(密度): 1.208 · 1.208±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 13.22 · 13.22±0.10(Predicted)
CAS データベース: 78441 · 78441-69-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.