1',3'-Dihydrospiro(cyclohexane-1,2'-(2H)imidazo(4,5-b)pyridine)

HCID 589729CAS 76902-24-4

基本情報

標準SMILES: c1cnc2c(c1)NC1(CCCCC1)N2
InChIKey: OUKQLJBANRHVIM-UHFFFAOYSA-N
分子式: C11H15N3
平均分子量: 189.26 g/mol
単同位体質量: 189.12659748

名称と識別子

優先名称: 1',3'-Dihydrospiro(cyclohexane-1,2'-(2H)imidazo(4,5-b)pyridine)
IUPAC: spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]
英語名: 1',3'-Dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine]
分子式: C11H15N3
分子量: 189.26

名称と別名

1',3'-Dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine]1',3'-Dihydrospiro(cyclohexane-1,2'-(2H)imidazo(4,5-b)pyridine)RefChem:408771623-178-776902-24-41',3'-dihydrospiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]spiro[4-imidazolino[4,5-b]pyridine-2,1'-cyclohexane]Oprea1_249389SCHEMBL5147086DTXSID50343439OUKQLJBANRHVIM-UHFFFAOYSA-N

名称をさらに表示

TIMTEC-BB SBB000278LABOTEST-BB LT000531851',3'-dihydrospiro(cyclohexane-1,2'-(2H)-imidazo(dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine1′,3′-Dihydrospiro[cyclohexane-1,2′-[2H]imidazo[4,5-b]pyridine]1′,3′-Dihydrospiro[cyclohexane-1,2′-[2H]imidazo[4,5-b]pyridine], CAS 76902-24-4

HMS1675M10SBB000278AKOS000520716Spiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine], 1',3'-dihydro-ST0444921',3'-Dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine], 97%Spiro[cyclohexane-1,2'-[2H]-imidazo[4,5-b]pyridine], 1',3'-dihydro-

データベース識別子

CAS: 76902-24-4
PubChem CID: 589729
DTXSID: DTXSID50343439
EC Number: 623-178-7
Nikkaji: J625.829H

物性

構造計算による物性

XLogP: 2.7
極性表面積: 37 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 211

物理化学的性質

融点: 216 · 216-220 °C(lit.)
沸点: 456.1 · 456.1±38.0 °C(predicted)
比重(密度): 1.31 · 1.31±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
外見: solid
酸解離定数(Pka): 15.39 · 15.39±0.20(predicted)
InChI: 1S/C11H15N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8,13H,1-3,6-7H2,(H,12,14)
InChIKey: OUKQLJBANRHVIM-UHFFFAOYSA-N
SMILES: C1CCC2(CC1)Nc3cccnc3N2

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

一般的な説明1′,3′-Dihydrospiro[cyclohexane-1,2′-[2H]imidazo[4,5-b]pyridine]is a heterocyclic building block.

上流・下流製品情報

上流原料

シクロヘキサノン 2,3-ジアミノピリジン

サプライヤー7 社

Aladdin Scientific[email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

学研惠（武汉）科技有限公司15727060112 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

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