N'-methyl(tert-butoxy)carbohydrazide

HCID 15671306

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 127799-54-6
標準SMILES: CNNC(=O)OC(C)(C)C
InChIKey: UZRUVUYVHGPEAP-UHFFFAOYSA-N
分子式: C6H14N2O2
平均分子量: 146.19 g/mol
単同位体質量: 146.10552769

名称と識別子

優先名称: N'-methyl(tert-butoxy)carbohydrazide
IUPAC: tert-butyl N-(methylamino)carbamate
英語名: 1-N-Boc-2-Methylhydrazine
分子式: C6H14N2O2
分子量: 146.19

名称と別名

N'-methyl(tert-butoxy)carbohydrazideRefChem:821308819-787-4127799-54-6tert-Butyl 2-methylhydrazinecarboxylate1-N-Boc-2-methylhydrazine1-Boc-2-methylhydrazineHydrazinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl estertert-butyl N-(methylamino)carbamateMFCD166601392-Methylhydrazinecarboxylic acid tert-butyl estertert-butyl 2-methylhydrazine-1-carboxylate

名称をさらに表示

N1-BOC-2-MethylhydrazineN2-BOC-N1-Methylhydrazinetert-Butyl 2-methyhydrazinecarboxylate

1-(T-BUTYLOXY)CARBONYL-2-METHYLHYDRAZINEtert-Butyl2-methylhydrazinecarboxylateCS-W019664N-(t-Butoxycarbonyl)-N'-methylhydrazineN-tert-butoxycarbonyl-N'-methylhydrazineAS-10335SY024141EN300-227419

データベース識別子

CAS: 127799-54-6
PubChem CID: 15671306
DTXSID: DTXSID00576659
EC Number: 819-787-4
Nikkaji: J1.286.463I

物性

構造計算による物性

XLogP: 0.7
極性表面積: 50.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 117

物理化学的性質

融点: 49 · 49-51℃
比重(密度): 0.982 · 0.982±0.06 g/cm3 (20 ºC 760 Torr)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 10.73 · 10.73±0.43(Predicted)
InChI: InChI=1S/C6H14N2O2/c1-6(2,3)10-5(9)8-7-4/h7H,1-4H3,(H,8,9)
InChIKey: UZRUVUYVHGPEAP-UHFFFAOYSA-N
SMILES: N(C(OC(C)(C)C)=O)NC

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, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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