N-メチルピバルアミド

N,2,2-Trimethylpropanamide

HCID 138844

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6830-83-7
標準SMILES: CNC(=O)C(C)(C)C
InChIKey: QMKKJBRRKIKWFK-UHFFFAOYSA-N
分子式: C6H13NO
平均分子量: 115.17 g/mol
単同位体質量: 115.09971404

名称と識別子

優先名称: N,2,2-Trimethylpropanamide
IUPAC: N,2,2-trimethylpropanamide
現地名: N-メチルピバルアミド
英語名: N-Methyltrimethylacetamide
分子式: C6H13NO
分子量: 115.17

名称と別名

6830-83-7N,2,2-Trimethylpropanamide2,2,N-TrimethylpropanamideDTXSID70218458RefChem:1090191DTXCID90140949N-MethyltrimethylacetamideN-MethylpivalamideMFCD000436432,2-dimethyl-N-methylpropanamideBAEN-methyl-pivalamide

名称をさらに表示

N-メチルピバルアミドN,2,2-トリメチルプロパンアミドN-メチルトリメチルアセトアミドN-メチル-2,2-ジメチルプロピオンアミドTIMTEC-BB SBB007942RARECHEM AQ A3 0035N,2,2-TRIMETHYLPROPIONAMIDEPropanamide, N,2,2-trimethyl-N-Methyltrimethylacetamide,96%N,2,2-Trimethylpropionamide, N-Methylpivalamide

NSC223053SCHEMBL114274SCHEMBL179521N,2,2-Trimethylpropanamide #SCHEMBL1513006SCHEMBL3271837CHEMBL4515313N-Methyltrimethylacetamide, 98%

データベース識別子

CAS: 6830-83-7
PubChem CID: 138844
DTXSID: DTXSID70218458
ChEMBL: CHEMBL4515313
EC Number: 806-283-4
Nikkaji: J567.244I

物性

構造計算による物性

XLogP: 0.9
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 91

物理化学的性質

融点: 86 · 86-91 °C(lit.)
沸点: 105 · 105-110°C 15mm
比重(密度): 0.9837 · 0.9837 (rough estimate)
屈折率: 1.469 · 1.4690 (estimate)
闪点: 105 · 105-110°C/15mm
酸解離定数(Pka): 16.61 · 16.61±0.46(Predicted)
BRN: 1744142 · 1744142
CAS データベース: 6830 · 6830-83-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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

Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-26

化学と産業

サプライヤー21 社

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

化合物ノート

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