3-Aminopyridine (HCID 10009)

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

XLogP: 0.1
極性表面積: 38.9 Å²
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

物理化学的性質

融点: 60 · 60-63 °C(lit.)
沸点: 248 °C · 248 °C(lit.)
比重(密度): 1.0308 · 1.0308 (estimate)
屈折率: 1.556 · 1.5560 (estimate)
闪点: 124 °C · 124 °C
貯蔵温度: Poison room
溶解性: 1000 g/l · >1000g/l
外見: 液体
酸解離定数(Pka): 6.04 · 6.04(at 25℃)
色: 無色透明～黄色
PH: 10 · 10 (100g/l, H2O, 20℃)
水溶解度: 水に溶け、アルコール、ベンゼンにも溶ける。
Merck: 14 · 14,473
BRN: 105692 · 105692
InChI: 1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2
InChIKey: CUYKNJBYIJFRCU-UHFFFAOYSA-N
SMILES: Nc1cccnc1
LogP: 0.11 · 0.110
CAS データベース: 462 · 462-08-8(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3-Pyridinamine(462-08-8)
EPAの化学物質情報: 3 · 3-Aminopyridine (462-08-8)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 4 件

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 · 4 件

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 · 1 件

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

F: 3-8-9-23
wgk: 3
tsca: TSCA listed
rtecs: US1650000
ridadr: UN 2671 (AMINOPYRIDINES (o-, m-, p,))
毒性: LD50 ipr-mus: 28 mg/kg JMCMAR 8,296,65
hs_code: 29333999
risk_code: 23/24/25-33-36/37/38-25
化審法: (5)-725
hazard_code: T,Xi
hazard_note: Toxic/Irritant
safety_code: 36/37/39-45-37/39-28B-26
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT RE 2STOT SE 3
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

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 · 2 件

All Other Basic Organic Chemical Manufacturing

3-Pyridinamine: ACTIVE

応用分野 · 2 件

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.]

サプライヤー50 社

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3-アミノピリジン

基本情報

概要