N-(3-ピリジル)ピバルアミド

2,2-dimethyl-N-(pyridin-3-yl)propanamide

HCID 4655044

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 70298-88-3
標準SMILES: CC(C)(C)C(=O)Nc1cccnc1
InChIKey: VQXVCVTZSTYIMG-UHFFFAOYSA-N
分子式: C10H14N2O
平均分子量: 178.23 g/mol
単同位体質量: 178.11061307

名称と識別子

優先名称: 2,2-dimethyl-N-(pyridin-3-yl)propanamide
IUPAC: 2,2-dimethyl-N-pyridin-3-ylpropanamide
現地名: N-(3-ピリジル)ピバルアミド
英語名: 2,2-Dimethyl-N-pyridin-3-yl-propionamide
分子式: C10H14N2O
分子量: 178.23

名称と別名

70298-88-32,2-dimethyl-N-(pyridin-3-yl)propanamideDTXSID10405289RefChem:243550DTXCID703561422,2-Dimethyl-N-pyridin-3-yl-propionamide2,2-Dimehtyl-N-pyridin-3-yl-propionamideN-(PYRIDIN-3-YL)PIVALAMIDE2,2-dimethyl-N-pyridin-3-ylpropanamideMFCD009962432,2-DIMETHYL-N-(3-PYRIDYL)PROPIONAMIDE2,2-dimethyl-N-(3-pyridinyl)propanamide

名称をさらに表示

N-(3-ピリジル)ピバルアミド2,2-ジメチル-N-(3-ピリジル)プロピオンアミドN-(ピリジン-3-イル)ピバルアミド2,2-ジメチル-N-ピリジン-3-イル-プロピオンアミドZinc04352664N-(3-Pyridyl)pivalamide>N-(3-Pyridyl)pivalamide, 95%2,2-Dimethyl-N-3-pyridinyl-propanamide

SCHEMBL3916833-(PIVALOYLAMINO)PYRIDINEEN300-1407072,2-dimethyl-N-(3-pyridyl)propanamidePROPANAMIDE, 2,2-DIMETHYL-N-3-PYRIDINYL-n-3-pyridylpivalamide2,2-Dimethyl-N-pyridine-3yl-propionamideN-(3-Pyridyl)pivalamide

データベース識別子

CAS: 70298-88-3
PubChem CID: 4655044
DTXSID: DTXSID10405289
EC Number: 679-008-7
Nikkaji: J1.467.138B

物性

構造計算による物性

XLogP: 1.8
極性表面積: 42 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: 13
形式電荷: 0
複雑度: 184

物理化学的性質

融点: 129 · 129-131℃
沸点: 337.5 · 337.5±15.0 °C(Predicted)
比重(密度): 1.078 · 1.078±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 14.19 · 14.19±0.70(Predicted)
色: White to Light yellow to Light orange

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.