N-TERT-ブチル-3-メチルピコリンアミド

N-tert-Butyl-3-methylpyridine-2-carboxamide

HCID 5463796CAS 32998-95-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cccnc1C(=O)NC(C)(C)C
InChIKey: XYBOIZQGIVYRFV-UHFFFAOYSA-N
分子式: C11H16N2O
平均分子量: 192.26 g/mol
単同位体質量: 192.12626313

名称と識別子

優先名称: N-tert-Butyl-3-methylpyridine-2-carboxamide
IUPAC: N-tert-butyl-3-methylpyridine-2-carboxamide
現地名: N-TERT-ブチル-3-メチルピコリンアミド
英語名: N-t-Butyl-3-methyl pyridine-2-carboxamide
分子式: C11H16N2O
分子量: 192.26

名称と別名

N-tert-Butyl-3-methylpyridine-2-carboxamideN-tert-Butyl-3-methylpicolinamideEC 406-720-5DTXSID40420182N-(1,1-dimethylethyl)-3-methyl-2-pyridinecarboxamideRefChem:831146DTXCID40371029406-720-5620-531-732998-95-1N-(tert-Butyl)-3-methylpicolinamideMFCD04108091

名称をさらに表示

N-TERT-ブチル-3-メチルピコリンアミドN-tert-ブチル-3-メチルピリジン-2-カルボキサミドN-tert-ブチル-3-メチルピリジン-2-カルボアミドPICOLINAMIDE,N-TERT-BUTYL-3-METHYLN-(TERT-BUTYL)-3-METHYLPYRIDINE-2-CARBOXAMIDEN-(tert-butyl)-3-methyl-2-pyridinecarboxamideN-tert-Butyl-3-methylpicolinamide, CAS 32998-95-1

N-T-BUTYL-3-METHYL PYRIDINE-2-CARBOXAMIDE3-Methyl-pyridine-2-carboxylic acid tert-butylamide2-Pyridinecarboxamide, N-(1,1-dimethylethyl)-3-methyl-SCHEMBL4605525SCHEMBL30853475HBA99895AKOS005064513DH-0711

データベース識別子

CAS: 32998-95-1
PubChem CID: 5463796
DTXSID: DTXSID40420182
EC Number: 406-720-5、620-531-7
Nikkaji: J2.413.048G

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: 14
形式電荷: 0
複雑度: 208

物理化学的性質

融点: 58 °C · 58.0 °C
沸点: 333.4 · 333.4±30.0 °C(Predicted)
比重(密度): 1.018 · 1.018±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: solid
酸解離定数(Pka): 13.91 · 13.91±0.46(Predicted)
InChI: 1S/C11H16N2O/c1-8-6-5-7-12-9(8)10(14)13-11(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKey: XYBOIZQGIVYRFV-UHFFFAOYSA-N
SMILES: O=C(NC(C)(C)C)C1=NC=CC=C1C

安全と法規制

GHS分類

GHS Classification · 6 件

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Warning

H302 (15.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 13 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.