4-(4-メチル-4H-1,2,4-トリアゾール-3-イル)ピペリジン DIHYDROCHLORIDE HYDRATE

4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine

HCID 25658249

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 297172-18-0
標準SMILES: Cn1cnnc1C1CCNCC1
InChIKey: LBGLYAJNIDZGGO-UHFFFAOYSA-N
分子式: C8H14N4
平均分子量: 166.22 g/mol
単同位体質量: 166.12184646

名称と識別子

優先名称: 4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
IUPAC: 4-(4-methyl-1,2,4-triazol-3-yl)piperidine
現地名: 4-(4-メチル-4H-1,2,4-トリアゾール-3-イル)ピペリジン DIHYDROCHLORIDE HYDRATE
英語名: 5-(Piperidin-4-yl)-4-methyl-4H-1,2,4-triazole
分子式: C8H14N4
分子量: 166.22

名称と別名

297172-18-04-(4-methyl-4H-1,2,4-triazol-3-yl)piperidineDTXSID80649734RefChem:288138DTXCID606004844-(4-methyl-1,2,4-triazol-3-yl)piperidineMFCD09055373Piperidine, 4-(4-methyl-4H-1,2,4-triazol-3-yl)-4-(4-methyl-4H-[1,2,4]triazol-3-yl)-piperidine4-(4-Methyl-4H-124-triazol-3-yl)piperidineSCHEMBL239491SCHEMBL4013880

名称をさらに表示

4-(4-メチル-4H-1,2,4-トリアゾール-3-イル)ピペリジン DIHYDROCHLORIDE HYDRATE4-(4-メチル-4H-1,2,4-トリアゾール-3-イル)ピペリジン4-(4-Methyl-4H-1,2,4-triazol-3-yl)4-(4-Methyl-1,2,4-triazol-3-yl)piperidi5-(Piperidin-4-yl)-4-methyl-4H-1,2,4-triazole4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine HBr4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine(SALTDATA: 2HCl H2O)4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine Dihydrochloride Hydrate

LBGLYAJNIDZGGO-UHFFFAOYSA-NAKOS009186576CCG-211294SB41441DS-14014SY101592EN300-31837C74525

データベース識別子

CAS: 297172-18-0
PubChem CID: 25658249
DTXSID: DTXSID80649734
EC Number: 857-158-6

物性

構造計算による物性

XLogP: -0.4
極性表面積: 42.7 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: 1
重原子数: 12
形式電荷: 0
複雑度: 144

物理化学的性質

沸点: 331 · 331.0±52.0 °C(Predicted)
比重(密度): 1.29 · 1.29±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 9.84 · 9.84±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, P305+P354+P338, P317, 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 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；STOT SE 3 (100%)

安全データ

hs_code: 2933998090

化学と産業

サプライヤー40 社

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

化合物ノート

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