N-(3-ピリジニルメチル)エタンアミン

Ethyl[(pyridin-3-yl)methyl]amine

HCID 4716480

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基本情報

CAS: 3000-75-7
標準SMILES: CCNCc1cccnc1
InChIKey: SGROJTFSHJVVSF-UHFFFAOYSA-N
分子式: C8H12N2
平均分子量: 136.19 g/mol
単同位体質量: 136.10004838

名称と識別子

優先名称: Ethyl[(pyridin-3-yl)methyl]amine
IUPAC: N-(pyridin-3-ylmethyl)ethanamine
現地名: N-(3-ピリジニルメチル)エタンアミン
英語名: N-(Pyridin-3-ylmethyl)ethylamine
分子式: C8H12N2
分子量: 136.19

名称と別名

ethyl[(pyridin-3-yl)methyl]amineethyl((pyridin-3-yl)methyl)amineRefChem:596463682-067-13000-75-7N-(pyridin-3-ylmethyl)ethanamineN-Ethyl-N-(3-pyridylmethyl)amineN-(PYRIDIN-3-YLMETHYL)ETHYLAMINEethyl-pyridin-3-ylmethyl-amineMFCD045578693-Pyridinemethanamine, N-ethyl-N-Ethyl-3-Pyridinemethylamine

名称をさらに表示

N-(3-ピリジニルメチル)エタンアミンN-エチル-N-(3-ピリジルメチル)アミンN-エチル-3-ピリジンメタンアミンN-エチルピリジン-3-メタンアミンエチル[(ピリジン-3-イル)メチル]アミンnAChR-IN-2N-(Pyridin-3-ylmethyl)N-ethyl-3-PyridineMethanaMineN-(3-Pyridinylmethyl)ethanamineN-(Pyridin-3-ylmethyl)ethanamine 95+%N-(3-pyridinylmethyl)ethanamine(SALTDATA: FREE)

N-ethyl-3-pyridylmethylamineN-(3-pyridylmethyl)ethanamineethyl(3-pyridylmethyl)amineorb3023365SCHEMBL1037867SCHEMBL7214218SCHEMBL7367240SCHEMBL8404150

データベース識別子

CAS: 3000-75-7
PubChem CID: 4716480
DTXSID: DTXSID20405876
ChEMBL: CHEMBL2286832
EC Number: 682-067-1
Nikkaji: J508.050I

物性

構造計算による物性

XLogP: 0.8
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: 3
重原子数: 10
形式電荷: 0
複雑度: 83.3

実験および物理化学的性質

LogP0.76

物理化学的性質

沸点: 217.5 · 217.5±15.0 °C(Predicted)
比重(密度): 0.967 · 0.967±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Oil
酸解離定数(Pka): 8.66 · 8.66±0.10(Predicted)
色: Clear Yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (37.5%)

安全データ

ridadr: UN3259
hs_code: 2921490090
hazard_class: 8
packing_group: III

化学と産業

応用分野 · 1 件

使用N-(Pyridin-3-ylmethyl)ethanamine is used as a reagent in organic synthesis, in particular, that of bis-nicotine derivatives which act as inhibitors of cholinesterases and β-amyloid aggregation. It is also used in the synthesis of [11C]EMPA which acts as a potential PET tracer for orexin 2 receptors. N-(Pyridin-3-ylmethyl)ethanamine is also a nicotinic analog.