CAS 926280-83-3 potassium tert-butyl N-(2-(trifluoroboranuidyl)ethyl)carbamate (HCID 42614635)

基本情報

CAS: 926280-83-3
標準SMILES: CC(C)(C)OC(=O)NCC[B-](F)(F)F.[K+]
InChIKey: PHWWWSABRPAZQS-UHFFFAOYSA-N
分子式: C7H14BF3KNO2
平均分子量: 251.1 g/mol
単同位体質量: 251.0706748

名称と識別子

優先名称: potassium tert-butyl N-(2-(trifluoroboranuidyl)ethyl)carbamate
IUPAC: potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
英語名: Potassium tert-butyl N-[2-(trifluoroboranuidyl)ethyl]carbamate
分子式: C7H14BF3NO2.K
分子量: 251.096

名称と別名

Potassium tert-butyl N-[2-(trifluoroboranuidyl)ethyl]carbamatepotassium tert-butyl N-(2-(trifluoroboranuidyl)ethyl)carbamateRefChem:868032818-200-9926280-83-3Potassium (2-((tert-butoxycarbonyl)amino)ethyl)trifluoroborateMFCD10698613potassium;trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuidePotassium [2-(tert-butoxycarbonylamino)ethyl]trifluoroboratePotassium [2-(Boc-amino)ethyl]trifluoroboratePotassium tert butyl-2-N(2-trifluoroboranuidyl)ethy]carbamatePotassium {2-[(tert-butoxycarbonyl)amino]ethyl}(trifluoro)borate(1-)

名称をさらに表示

SKL172potassiuM N-boc-ethyl trifluoroboratepotassium (2-((tert-butoxycarbonyl)amino)ethyl)trifluoroboPotassium tert butyl-N-2-(trifluoroboranuidyl)ethycarbamatePotassium-tert-butyl-2-(N-trifluoroboronidyl)ethyl]carbamatePotassium [2-(tert-butoxycarbonylamino)ethyl] trifluoroboratetrifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide

BCP32089SCHEMBL954927orb3175478DTXSID10655186PHWWWSABRPAZQS-UHFFFAOYSA-NAKOS005259115AB62514AS-71306

物性

構造計算による物性

極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 15
形式電荷: 0
複雑度: 205

物理化学的性質

融点: 185 °C · >185 °C
貯蔵温度: 2 · Storage temp. 2-8°C
外見: solid
色: White
InChI: InChI=1S/C7H14BF3NO2.K/c1-7(2,3)14-6(13)12-5-4-8(9,10)11;/h4-5H2,1-3H3,(H,12,13);/q-1;+1
InChIKey: PHWWWSABRPAZQS-UHFFFAOYSA-N
SMILES: [B-](F)(F)(F)CCNC(=O)OC(C)(C)C.[K+]

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.