基本情報
- 標準SMILES
CCOC(OCC)n1ccnc1- InChIKey
NNQBAGFIYBBAFL-UHFFFAOYSA-N- 分子式
- C8H14N2O2
- 平均分子量
- 170.21 g/mol
名称と識別子
- 優先名称
- 1-(diethoxymethyl)-1H-imidazole
- IUPAC
- 1-(diethoxymethyl)imidazole
名称と別名
1-(Diethoxymethyl)-1H-imidazoleRefChem:427611627-227-31-(Diethoxymethyl)imidazole61278-81-7MFCD009563311-DiethoxymethylimidazoleN-(diethoxymethyl)imidazoleAKOS0003206571-(Diethoxymethyl)imidazole, >=97.0%imidazole-l-carboxaldehyde diethyl acetalEN300-181928
名称をさらに表示
F14529methyl(3alpha,14N-diethoxymethylimidazoleFT-0640740SCHEMBL577251-diethoxymethyl-1h-imidazoleAS-93976DB-053829
データベース識別子
- CAS
61278-81-7- PubChem CID
- 3849535
- EC Number
- 627-227-3
- Nikkaji
- J2.416.620A
物性
構造計算による物性
- XLogP
- 0.6
- 極性表面積
- 36.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 116
実験および物理化学的性質
SpringerMaterials PropertiesChemical shift
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 3 reports by companies from 3 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 CategoriesAcute Tox. 4 (100%)
関連反応
38 件
関連ノート
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