N-エチルベンゾチアゾール-2-アミン

N-Ethyl-2-benzothiazolamine

HCID 34201CAS 28291-69-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCNc1nc2ccccc2s1
InChIKey: SPJIVJKZYGYWQH-UHFFFAOYSA-N
分子式: C9H10N2S
平均分子量: 178.26 g/mol
単同位体質量: 178.0564695

名称と識別子

優先名称: N-Ethyl-2-benzothiazolamine
IUPAC: N-ethyl-1,3-benzothiazol-2-amine
現地名: N-エチルベンゾチアゾール-2-アミン
英語名: 2-Benzothiazolamine,N-ethyl-(9CI)
分子式: C9H10N2S
分子量: 178.25

名称と別名

N-Ethyl-1,3-benzothiazol-2-amine28291-69-2N-ETHYL-2-BENZOTHIAZOLAMINEDTXSID20182539RefChem:829850DTXCID10105030962-642-6N-ethylbenzo[d]thiazol-2-amine2-Benzothiazolamine,N-ethyl-(9CI)MFCD006134572-(Ethylamino)-1,3-benzothiazole2-Benzothiazolamine, N-ethyl-

名称をさらに表示

N-エチルベンゾチアゾール-2-アミン2-(エチルアミノ)ベンゾチアゾールN-エチル-1,3-ベンゾチアゾール-2-アミン2-(Ethylamino)benzothiazole

Benzothiazole, 2-(ethylamino)-2-ethylamino-benzthiazole2-ethylamino-benzothiazoleOprea1_305279Oprea1_720145SCHEMBL1913774HMS1673K12DBA29169

データベース識別子

CAS: 28291-69-2
PubChem CID: 34201
DTXSID: DTXSID20182539
EC Number: 962-642-6
Nikkaji: J102.648H

物性

構造計算による物性

XLogP: 2.9
極性表面積: 53.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 88 · 88-89 °C
沸点: 142 °C · 142 °C(Press: 0.14 Torr)
比重(密度): 1.253 · 1.253±0.06 g/cm3(Predicted)
酸解離定数(Pka): 3.7 · 3.70±0.10(Predicted)
外見: solid
InChI: 1S/C9H10N2S/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,10,11)
InChIKey: SPJIVJKZYGYWQH-UHFFFAOYSA-N
SMILES: CCNc1nc2ccccc2s1

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

安全データ

wgk: WGK 3
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

サプライヤー6 社

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

Aladdin Scientific[email protected]

郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]

上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]

佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]