3-アミノピリジン
3-Aminopyridine
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基本情報
- CAS
462-08-8- 標準SMILES
Nc1cccnc1- InChIKey
CUYKNJBYIJFRCU-UHFFFAOYSA-N- 分子式
- C5H6N2
- 平均分子量
- 94.11 g/mol
- 単同位体質量
- 94.05309819
概要
RN given refers to parent cpd
名称と識別子
- 優先名称
- 3-Aminopyridine
- IUPAC
- pyridin-3-amine
- 現地名
- 3-アミノピリジン
- 英語名
- 3-Aminopyridine
- 分子式
- C5H6N2
- 分子量
- 94.11
名称と別名
3-AMINOPYRIDINE462-08-83-Pyridinaminem-Aminopyridinebeta-AminopyridineDTXSID9047461UN267169JE8P2L84NSC-15040DTXCID7027461UN-2671RefChem:911164
名称をさらに表示
3-アミノピリジン3アミノピリジン3-アミノピリジン(β-〃)3-ピリジルアミン3‐アミノピリジンアミノピリジン, 3-462-08-0462-08-03APYNSC 15040AKOS 909773-Pyridylamin
207-322-2pyridin-3-amine3-PyridylamineAmino-3 pyridinePyridine, 3-amino-3-amino pyridinepyridin-3-ylamine.beta.-Aminopyridine
データベース識別子
- CAS
462-08-8- PubChem CID
- 10009
- DTXSID
DTXSID9047461- ChEMBL
CHEMBL25541- UNII
- 69JE8P2L84
- EC Number
- 207-322-2
- Nikkaji
- J1.535K
物性
構造計算による物性補完中
- XLogP
- 0.1
- 極性表面積
- 38.9 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 54
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesMolecular structure
LogP0.05
Flash Point190.4 °F
Boiling Point483.8 °F
Melting Point147.2 °F
Vapor Pressure0.43 [mmHg]
Physical Description
Other Solid
Solid; [Merck Index] Brown solid; [NTP] White to light brown solid with an unpleasant odor; [OSHA] Brown crystalline solid; [Alfa Aesar MSDS]
White to yellow-brown crystals with an unpleasant odor.
Ionization Efficiency
Positive
3.09
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section115.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9047461]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H300 (15%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 3-Pyridinamine
3-Pyridinamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Pyridinamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 29-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16757
3-Aminopyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes convulsions in intracerebral lethal-dose studies of mice; Intravenous LD50 (mouse) = 24 mg/kg; [RTECS] Readily absorbed through skin; [NTP] A skin, eye, and mucous membrane irritant; Toxic by ingestion; [ToxPlanet: OSHA] A skin and strong eye irritant; Harmful by skin absorption; Toxic by ingestion; Oral LD50 (rat) = 50-200 mg/kg; [Alfa Aesar MSDS] See 2-Aminopyridine.
Hazard Classes and CategoriesAcute Tox. 2 (15%)
毒性情報
Adverse EffectsNeurotoxin - Other CNS neurotoxin
安全データ
化学と産業
用途と製造
UsesUsed to make pharmaceuticals and dyes; [Merck Index] Also used to make agrochemicals and as a plant growth regulator; [NTP]
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
3-Pyridinamine: ACTIVE
応用分野
用途有機合成原料(医薬、農薬、染料)。
使用3-Aminopyridine is a monosubstituted pyridine that shows convulsive effects on cortical Neurons. 3-Aminopyridine is used in the synthesis of of organic ligand 3-Pyridylnicotinamide. 3-Aminopyridine al ong with other aminopyridines have been shown to reversibly block voltage-dependent potassium channels,
調製方法
純化方法It crystallises from *benzene, CHCl3/pet ether (b 60-70o), or *benzene/pet ether (4:1). [Beilstein 22/9 V 3.]
上流・下流製品情報
上流原料
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