N-(3-ホルミル-2-ピリジニル)-2,2-ジメチルプロパンアミド

N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide

HCID 736837CAS 86847-64-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)C(=O)Nc1ncccc1C=O
InChIKey: ANABHCSYKASRRW-UHFFFAOYSA-N
分子式: C11H14N2O2
平均分子量: 206.24 g/mol
単同位体質量: 206.10552769

名称と識別子

優先名称: N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide
IUPAC: N-(3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
現地名: N-(3-ホルミル-2-ピリジニル)-2,2-ジメチルプロパンアミド
英語名: N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide
分子式: C11H14N2O2
分子量: 206.24

名称と別名

N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamideRefChem:826591625-350-786847-64-5N-(3-formylpyridin-2-yl)pivalamideN-(3-formylpyridin-2-yl)-2,2-dimethylpropanamideN-(3-Formyl-pyridin-2-yl)-2,2-dimethyl-propionamideMFCD018301702-PIVALYLAMINO-PYRIDINE-3-CARBOXYALDEHYDEN-(3-formyl(2-pyridyl))-2,2-dimethylpropanamideSCHEMBL1375331DTXSID30353117

名称をさらに表示

N-(3-ホルミル-2-ピリジニル)-2,2-ジメチルプロパンアミドN-(3-Formyl-2-pyridinyl)pivalamideN-(3-FORMYL-2-PYRIDINYL)-2,2-DIMETHYLPR&N-(3-Formyl-2-pyridinyl)- tert-butanamide2-[(2,2-Dimethylpropanoyl)amino]nicotinaldehyden-(3-eormylpyridin-2-yl)-2,2-dimethylpropionamide

ANABHCSYKASRRW-UHFFFAOYSA-N3-formyl-2-(pivaloylamino)pyridineCS-M0436SBB093685AKOS000320285AB09960AS-35624BP-10381

データベース識別子

CAS: 86847-64-5
PubChem CID: 736837
DTXSID: DTXSID30353117
EC Number: 625-350-7
Nikkaji: J329.300I

物性

構造計算による物性

XLogP: 1.8
極性表面積: 59.1 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: 3
重原子数: 15
形式電荷: 0
複雑度: 245

物理化学的性質

融点: 85 · 85-88°C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
InChI: 1S/C11H14N2O2/c1-11(2,3)10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15)
InChIKey: ANABHCSYKASRRW-UHFFFAOYSA-N
SMILES: CC(C)(C)C(=O)Nc1ncccc1C=O
CAS データベース: 86847 · 86847-64-5(CAS DataBase Reference)

化学的性質

化学的特性White to yellow solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (88.6%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-43
hazard_code: Xi
safety_code: 26-36/37
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Reactant for:• ;Preparation of disubstituted azaindolines1

上流・下流製品情報

上流原料

ヘキサン窒素 N,N-ジメチルホルムアミドジクロロカルシウム塩化ナトリウム炭酸カリウムナトリウムトリエチルアミンピバロイルクロリドテトラヒドロフランジエチルエーテル (無水)酢酸エチル

サプライヤー50 社

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

成都市久鼎化学技术有限公司18584079237 · [email protected]

安特希（苏州）生物科技有限公司19951207836

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]