(2-Methoxypyridin-4-yl)methanamine

HCID 16227983

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基本情報

CAS: 148900-69-0
標準SMILES: COc1cc(CN)ccn1
InChIKey: UQAHBOKPZNLKRF-UHFFFAOYSA-N
分子式: C7H10N2O
平均分子量: 138.17 g/mol
単同位体質量: 138.07931295

名称と識別子

優先名称: (2-Methoxypyridin-4-yl)methanamine
IUPAC: (2-methoxy-4-pyridinyl)methanamine
英語名: 4-Pyridinemethanamine,2-methoxy-(9CI)
分子式: C7H10N2O
分子量: 138.17

名称と別名

(2-methoxypyridin-4-yl)methanamineRefChem:396025826-895-5148900-69-04-PYRIDINEMETHANAMINE, 2-METHOXY-(2-METHOXY-4-PYRIDYL)METHANAMINE(2-methoxypyridin-4-yl)methylamineMFCD090546794-(Aminomethyl)-2-methoxypyridine4-Pyridinemethanamine,2-methoxy-(9CI)1-(2-METHOXYPYRIDIN-4-YL)METHANAMINE4-AMINOMETHYL-2-METHOXYPYRIDINE

名称をさらに表示

(2-Methoxypyridin-4-yl)4-Aminomethyl-2-methoxypy...2-Methoxy-4-PyridineMethanaMine

CHEMBL4066086(2-methoxy-4-pyridinyl)methanamine2-Methoxy-4-pyridinemethylamineC-(2-Methoxy-pyridin-4-yl)-methylamineSCHEMBL4492002-methoxy4-aminomethylpyridineF2147-1549DTXSID40585482

データベース識別子

CAS: 148900-69-0
PubChem CID: 16227983
DTXSID: DTXSID40585482
ChEMBL: CHEMBL4066086
EC Number: 826-895-5

物性

構造計算による物性

XLogP: 0
極性表面積: 48.1 Å²
水素結合供与体数: 1
水素結合受容体数: 3
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: 240.6 · 240.6±25.0 °C(Predicted)
比重(密度): 1.09 · 1.090±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 7.41 · 7.41±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesAcute Tox. 3 (50%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Dam. 1 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)