2-アミノ-5-エチル-1,3,4-オキサジアゾール

5-Ethyl-1,3,4-oxadiazol-2-amine

HCID 343487

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3775-61-9
標準SMILES: CCc1nnc(N)o1
InChIKey: XHSTYRIUVMKGDX-UHFFFAOYSA-N
分子式: C4H7N3O
平均分子量: 113.12 g/mol
単同位体質量: 113.05891186

名称と識別子

優先名称: 5-Ethyl-1,3,4-oxadiazol-2-amine
IUPAC: 5-ethyl-1,3,4-oxadiazol-2-amine
現地名: 2-アミノ-5-エチル-1,3,4-オキサジアゾール
英語名: 5-Ethyl-1,3,4-oxadiazol-2-ylamine
分子式: C4H7N3O
分子量: 113.12

名称と別名

3775-61-95-ethyl-1,3,4-oxadiazol-2-amineDTXSID50321893RefChem:102533DTXCID20273012671-495-45-ETHYL-1,3,4-OXADIAZOL-2-YLAMINE2-Amino-5-ethyl-1,3,4-oxadiazol2-amino-5-ethyl-1,3,4-oxadiazole5-Ethyl-1,3,4-oxadiazole-2-amineMFCD026718901,3,4-Oxadiazol-2-amine,5-ethyl-

名称をさらに表示

2-アミノ-5-エチル-1,3,4-オキサジアゾール5-エチル-1,3,4-オキサジアゾール-2-アミン5-エチル-1,3,4-オキサジアゾール-2-イルアミン

F2182-0121NSC 3829421,3,4-Oxadiazol-2-amine, 5-ethyl-5-ethyl-1,3,4-oxadiazole-2-ylamineNSC3829425-Ethyl-[1,3,4]oxadiazol-2-ylamineSCHEMBL368774CHEMBL4520233

データベース識別子

CAS: 3775-61-9
PubChem CID: 343487
DTXSID: DTXSID50321893
ChEMBL: CHEMBL4520233
EC Number: 671-495-4
Nikkaji: J1.582.521I

物性

構造計算による物性

XLogP: -0.3
極性表面積: 64.9 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: 1
重原子数: 8
形式電荷: 0
複雑度: 77

物理化学的性質

融点: 180 · 180-181 °C
沸点: 235.3 · 235.3±23.0 °C(Predicted)
比重(密度): 1.206 · 1.206±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): -0.4 · -0.40±0.13(Predicted)
InChI: InChI=1S/C4H7N3O/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKey: XHSTYRIUVMKGDX-UHFFFAOYSA-N
SMILES: O1C(CC)=NN=C1N

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

安全データ

risk_code: 22
hazard_code: Xn

化学と産業

応用分野

用途有機合成原料。

使用5-Ethyl-1,3,4-oxadiazol-2-amine is used as a reactant in the preparation of (acylimino)thiadiazoline derivatives as angiotensin II receptor antagonists.