结构:Nc1ncccc1C=O
HCID737633

3-Pyridinecarboxaldehyde, 2-amino-

2-aminopyridine-3-carbaldehyde

C6H6N2O122.12 g/molCAS 7521-41-7

IDENTITY

结构与身份

标准 SMILES
Nc1ncccc1C=O
InChIKey
NXMFJCRMSDRXLD-UHFFFAOYSA-N
分子式
C6H6N2O
平均分子量
122.12 g/mol
单同位素质量
122.04801282

COMPUTED

结构计算性质

已同步
XLogP
0.5
极性表面积
56 Ų
氢键供体
1
氢键受体
3
可旋转键
1
重原子
9
形式电荷
0
复杂度
105

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 (98%): 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)

Aggregated GHS information provided per 50 reports by companies from 10 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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (98%)

ALIASES

名称与别名

45
7521-41-72-Amino-3-pyridinecarboxaldehyde3-Pyridinecarboxaldehyde, 2-amino-DTXSID20226184RefChem:95394DTXCID20148675NXMFJCRMSDRXLD-UHFFFAOYSA-N2-Aminonicotinaldehyde2-aminopyridine-3-carbaldehyde2-Amino-3-formylpyridine2-Aminopyridine-3-carboxaldehyde2-amino-pyridine-3-carbaldehydeMFCD018303822-Amino-3-pyridine carboxaldehyde2-amino nicotinaldehyde2-amino-3 formylpyridine2-amino-3-formyl-pyridineSCHEMBL120361orb2940100SCHEMBL5394033

REACTIONS

参与反应

112
HRID158363

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

作为反应物
HRID 158363 方程式

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

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