2-Amino-4-methylpyridine (HCID 1533)

名称と識別子

優先名称: 2-Amino-4-methylpyridine
IUPAC: 4-methylpyridin-2-amine
現地名: 2-アミノ-4-ピコリン
英語名: 4-Methylpyridin-2-amine
分子式: C6H8N2
分子量: 108.14

名称と別名

2-amino-4-methylpyridine4-METHYLPYRIDIN-2-AMINE695-34-12-Amino-4-picolineAminopicolineAscensil2-Pyridinamine, 4-methyl-4-Methyl-2-pyridinamine4-Methyl-2-aminopyridine4-Methyl-2-pyridylamine4-PICOLINE, 2-AMINO-RA 1226

名称をさらに表示

2-アミノ-4-ピコリン4-メチルピリジン-2-アミン2-アミノ-γ-ピコリンアセンシル4-メチル-2-ピリジンアミンアスセンシル2-アミノ-4-メチルピリジン4‐メチルピリジン‐2‐アミン2-アミノ-4-ピコリン(γ-〃)2‐アミノ‐4‐ピコリン(2S)-2-[(2S)-6-アミノ-2-[(2S)-6-アミノ-2-[(2S)-6-アミノ-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-アミノ-4-メチルペンタンアミド]-5-カルバムイミドアミドペンタンアミド]ヘキサンアミド]ヘキサンアミド]ヘキサンアミド]ヘキサンアミド]-3-(1H-イミダゾール-4-イル)プロパン酸L-Leu-L-Arg-L-Lys-L-Lys-L-Lys-L-Lys-L-His-OHRifaximin EP Impurity Aw45W 454M2APra1226NSC 1490

VMI 20-4DTXSID1044720NSC-1490NSC-6972394N1Z644HRA-1226DTXCID9024720NSC-176165

データベース識別子

CAS: 695-34-1
PubChem CID: 1533
DTXSID: DTXSID1044720
ChEMBL: CHEMBL40833
UNII: 394N1Z644H
EC Number: 211-780-9
Nikkaji: J31.382C

物性

構造計算による物性

XLogP: 0.6
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: 8
形式電荷: 0
複雑度: 72

実験および物理化学的性質

Kovats Retention Index · 3 件

1153

1113

1952；2001

Collision Cross Section118.1 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1044720]；119.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1044720]

物理化学的性質

融点: 96 · 96-99 °C (lit.)
沸点: 230 °C · 230 °C (lit.)
比重(密度): 1.0275 · 1.0275 (estimate)
蒸気圧: 3.71 Pa · 3.71Pa at 25℃
屈折率: 1.556 · 1.5560 (estimate)
闪点: 118 °C · 118 °C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMF: 溶けやすい
外見: フレーク
酸解離定数(Pka): 1 · pK1: 7.48(+1) (25°C)
色: わずかに黄色からベージュまたは茶色
水溶解度: 溶ける
Merck: 14 · 14,466
BRN: 107066 · 107066
InChI: 1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
InChIKey: ORLGLBZRQYOWNA-UHFFFAOYSA-N
SMILES: Cc1ccnc(N)c1
LogP: 0.56 · 0.56-1.08
CAS データベース: 695 · 695-34-1(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Pyridinamine, 4-methyl-(695-34-1)
EPAの化学物質情報: 2 · 2-Pyridinamine, 4-methyl- (695-34-1)

化学的性質

化学的特性Light yellow to brown flakes

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.8% (1 of 122) of reports.

Danger

H301 (99.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (47.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (64.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (61.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (32.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (64.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (32.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 122 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 122 reports by companies.；There are 14 notifications provided by 121 of 122 reports by companies with hazard statement code(s).；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.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 07-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20101

2-Amino-4-methylpyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (99.2%)；Acute Tox. 3 (47.5%)；Skin Irrit. 2 (64.8%)；Eye Irrit. 2 (61.5%)；Acute Tox. 3 (32.8%)；STOT SE 3 (64.8%)；STOT RE 2 (32.8%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 07-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20101

2-Amino-4-methylpyridine: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
rtecs: TJ5150000
ridadr: UN 3086 6.1/PG 1
毒性: LD50 oral in rat: 200mg/kg
hs_code: 29333999
risk_code: 45-46-60-61-8-21-25-26-34-42/43-48/23-50/53-36/37/38-33-23/24/25
hazard_code: T
safety_code: 53-45-60-61-37/39-28A-26-36/37/39
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
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

General Manufacturing Information2-Pyridinamine, 4-methyl-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用Intermediate, medicine.

一般的な説明4-Methylpyridin-2-amine acts as ligand and forms methoxo-bridged copper(II) complexes.

調製方法

純化方法Crystallise it from EtOH or a 2:1 *benzene/acetone mixture, and dry it under vacuum as in the prevous entry. [Beilstein 22/9 V 325.]

上流・下流製品情報

上流原料

2-Amino-3-chloro-4-picoline

下流製品

2-アミノ-3,5-ジクロロ-4-メチルピリジン 2-アミノ-4-メチル-5-ニトロピリジン 2-ブロモ-3-ヨード-イソニコチン酸 2-アミノ-5-ブロモ-4-メチルピリジン 2-アセトアミド-5-ブロモイソニコチン酸 2-アミノ-イソニコチン酸ヒドラジド 2-(2,2-ジメチル-プロピオニルアミノ)-イソニコチン酸 4-Pyridinecarbonyl chloride, 2-fluoro- (9CI)2-アミノ-5-フルオロ-4-メチルピリジン N-(4-メチル-2-ピリジル)アセトアミド 2-アミノイソニコチン酸 2-アミノイソニコチン酸エチル

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2-アミノ-4-ピコリン

基本情報