[(6-クロロピリジン-3-イル)メチル]メチルアミン二塩酸塩

6-Chloro-N-methyl-3-pyridinemethanamine

HCID 11094883

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 120739-62-0
標準SMILES: CNCc1ccc(Cl)nc1
InChIKey: XALCOJXGWJXWBL-UHFFFAOYSA-N
分子式: C7H9ClN2
平均分子量: 156.61 g/mol
単同位体質量: 156.045426

名称と識別子

優先名称: 6-Chloro-N-methyl-3-pyridinemethanamine
IUPAC: 1-(6-chloro-3-pyridinyl)-N-methylmethanamine
現地名: [(6-クロロピリジン-3-イル)メチル]メチルアミン二塩酸塩
英語名: N-[(6-CHLOROPYRIDIN-3-YL)METHYL]-N-METHYLAMINE
分子式: C7H9ClN2
分子量: 156.61

名称と別名

120739-62-0[(6-chloropyridin-3-yl)methyl](methyl)amine6-CHLORO-N-METHYL-3-PYRIDINEMETHANAMINEDTXSID301024729((6-chloropyridin-3-yl)methyl)(methyl)amineRefChem:541893DTXCID201508914819-914-3N-[(6-chloropyridin-3-yl)methyl]methylamineN-[(6-chloropyridin-3-yl)methyl]-N-methylamine1-(6-CHLOROPYRIDIN-3-YL)-N-METHYLMETHANAMINEAcetamiprid metabolite IM-1-4

名称をさらに表示

[(6-クロロピリジン-3-イル)メチル]メチルアミン二塩酸塩Acetamiprid Impurity 2Acetamiprid impurities51-(6-chloro-3-pyridinyl)-N-methylmethanamine

MFCD098021592-CHLORO-5-(METHYLAMINOMETHYL)PYRIDINE1-(6-Chloro-3-pyridinyl)-N-MethylMethanaMine 1.4 HCl2-chloro-5(methylaminomethyl)pyridineAS-107173-Pyridinemethanamine, 6-chloro-N-methyl-acetamiprid TP16-Chloro-N-methyl-3-pyridinemethanamine; 1-(6-Chloropyridin-3-yl)-N-methylmethanamine; 2-Chloro-5-(methylaminomethyl)pyridine; N-(6-Chloro-3-pyridylmethyl)-N-methylamine; N-[(6-Chloropyridin-3-yl)methyl]methylamine

データベース識別子

CAS: 120739-62-0
PubChem CID: 11094883
DTXSID: DTXSID301024729
EC Number: 819-914-3
Nikkaji: J969.020D

物性

構造計算による物性

XLogP: 1.2
極性表面積: 24.9 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: 2
重原子数: 10
形式電荷: 0
複雑度: 97

物理化学的性質

沸点: 236.9 · 236.9±25.0 °C(Predicted)
比重(密度): 1.149 · 1.149±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: DMSO（少々）、メタノール（少々）
外見: 個体
酸解離定数(Pka): 8.08 · 8.08±0.10(Predicted)
色: 透明なペールイエローオイルからオフホワイト、ペールイエローの低融点オイル

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger 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+P316, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2933399990
risk_code: 22
hazard_code: Xn
hazard_class: IRRITANT

化学と産業

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

応用分野

使用N-[(6-Chloropyridin-3-yl)methyl]methylamine is a metabolite of Acetamiprid (A158000), a novel neonicotinid insecticide against Holotrichia consanguinea in sugarcane.