1,4,5-Trimethyl-1H-imidazole-2-carbaldehyde 分子结构式
HCID18612400

1,4,5-Trimethyl-1H-imidazole-2-carbaldehyde

1,4,5-trimethylimidazole-2-carbaldehyde

C7H10N2O138.17 g/molCAS 185910-12-7

IDENTITY

结构与身份

标准SMILES
Cc1nc(C=O)n(C)c1C
InChIKey
RTPPLWUJHUAFLS-UHFFFAOYSA-N
分子式
C7H10N2O
平均分子量
138.17 g/mol
单同位素质量
138.07931295

COMPUTED

结构计算性质

已同步
XLogP
0.6
极性表面积
34.9 Ų
氢键供体
0
氢键受体
2
可旋转键
1
重原子
10
形式电荷
0
复杂度
138

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

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, 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)

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

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

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

ALIASES

名称与别名

共 23 条
185910-12-71,4,5-TRIMETHYL-1H-IMIDAZOLE-2-CARBALDEHYDEDTXSID10595114RefChem:219849DTXCID705458771,4,5-trimethylimidazole-2-carbaldehyde1H-Imidazole-2-carboxaldehyde,1,4,5-trimethyl-(9CI)MFCD080608781H-Imidazole-2-carboxaldehyde, 1,4,5-trimethyl-SCHEMBL1409887RTPPLWUJHUAFLS-UHFFFAOYSA-NALBB-015234AKOS005175071AT378241,4,5-Trimethylimidazol-2-carboxaldehydeBS-37408SY4783481,4,5-Trimethylimidazole-2-carboxaldehydeDB-011822CS-0374099

REACTIONS

参与反应

22
HRID 146525 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 438864 反应方程式

Cernak miniaturized reductive amination · 10.1038/s44160-023-00351-1

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HRID 438865 反应方程式

Cernak miniaturized reductive amination · 10.1038/s44160-023-00351-1

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HRID 438866 反应方程式

Cernak miniaturized reductive amination · 10.1038/s44160-023-00351-1

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HRID 438867 反应方程式

Cernak miniaturized reductive amination · 10.1038/s44160-023-00351-1

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HRID 438868 反应方程式

Cernak miniaturized reductive amination · 10.1038/s44160-023-00351-1

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HRID 438869 反应方程式

Cernak miniaturized reductive amination · 10.1038/s44160-023-00351-1

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HRID 438870 反应方程式

Cernak miniaturized reductive amination · 10.1038/s44160-023-00351-1

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