HCID14536428

Methyl 6-aminopyridazine-3-carboxylate

C6H7N3O2153.14 g/molCAS 98140-96-6

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(N)nn1
InChIKey: UVTBEJGKSJOOIF-UHFFFAOYSA-N
分子式: C6H7N3O2
平均分子量: 153.14 g/mol
单同位素质量: 153.05382648

COMPUTED

结构计算性质

已同步

XLogP: -0.8
极性表面积: 78.1 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 151

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

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

ALIASES

名称与别名

共 23 条

Methyl 6-aminopyridazine-3-carboxylate98140-96-6DTXSID50561414RefChem:356257DTXCID40512192852-894-4MFCD11226154Methyl 3-aMinopyridazine-6-carboxylate3-Pyridazinecarboxylic acid, 6-amino-, methyl esterSCHEMBL1458173SCHEMBL30565575UVTBEJGKSJOOIF-UHFFFAOYSA-NYDA14096Methyl6-aminopyridazine-3-carboxylateAKOS010008450Methyl- 6-aminopyridazine-3-carboxylateAC-28827AS-31570SY006049DB-028576

REACTIONS

参与反应

2 条

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09302989B2

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uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09302989B2

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