5-シクロプロピル-1,3,4-オキサジアゾール-2-アミン

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

HCID 16767787

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 89179-60-2
標準SMILES: Nc1nnc(C2CC2)o1
InChIKey: BXHGGEZILMHEAM-UHFFFAOYSA-N
分子式: C5H7N3O
平均分子量: 125.13 g/mol
単同位体質量: 125.05891186

名称と識別子

優先名称: 5-Cyclopropyl-1,3,4-oxadiazol-2-amine
IUPAC: 5-cyclopropyl-1,3,4-oxadiazol-2-amine
現地名: 5-シクロプロピル-1,3,4-オキサジアゾール-2-アミン
英語名: 5-Cyclopropyl-1,3,4-oxadiazol-2-amine
分子式: C5H7N3O
分子量: 125.13

名称と別名

5-cyclopropyl-1,3,4-oxadiazol-2-amine89179-60-2DTXSID00588015RefChem:302747DTXCID20538779857-651-6MFCD090411792-Amino-5-cyclopropyl-1,3,4-oxadiazol5-Cyclopropyl-[1,3,4]oxadiazol-2-ylamineSCHEMBL1924555AKOS000123461CS-W011175

名称をさらに表示

5-シクロプロピル-1,3,4-オキサジアゾール-2-アミン(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amine2-Amino-5-cyclopropyl-1,3,4-oxadiazol - [A12275]5-cyclopropyl-1,3,4-oxadiazol-2-amine(SALTDATA: FREE)

PB343571,3,4-OXADIAZOL-2-AMINE, 5-CYCLOPROPYL-F2182-01202243AF2-Amino-5-cyclopropyl-1SMSSF-0018141ALBB-0106972-Amino-5-cyclopropyl-1,3,4-oxadiazole

データベース識別子

CAS: 89179-60-2
PubChem CID: 16767787
DTXSID: DTXSID00588015
EC Number: 107-052-4、857-651-6

物性

構造計算による物性

XLogP: -0.7
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: 9
形式電荷: 0
複雑度: 115

物理化学的性質

沸点: 282 ℃ · 282℃
比重(密度): 1.406 · 1.406
闪点: 124 ℃ · 124℃
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): -0.58 · -0.58±0.13(Predicted)
外見: solid
InChI: 1S/C5H7N3O/c6-5-8-7-4(9-5)3-1-2-3/h3H,1-2H2,(H2,6,8)
InChIKey: BXHGGEZILMHEAM-UHFFFAOYSA-N
SMILES: NC1=NN=C(C2CC2)O1

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Acute Tox. 3 (100%)

安全データ

ridadr: UN 2811 6.1 / PGIII
hs_code: 2934999090
risk_code: 25
hazard_code: T
safety_code: 45
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects