O-tert-ブチル-N,N'-ジイソプロピルイソ尿素

2-tert-Butyl-1,3-diisopropylisourea

HCID 11041782

ノート反応

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基本情報

CAS: 71432-55-8
標準SMILES: CC(C)N=C(NC(C)C)OC(C)(C)C
InChIKey: FESDUDPSRMWIDL-UHFFFAOYSA-N
分子式: C11H24N2O
平均分子量: 200.32 g/mol
単同位体質量: 200.18886339

名称と識別子

優先名称: 2-tert-Butyl-1,3-diisopropylisourea
IUPAC: tert-butyl N,N'-di(propan-2-yl)carbamimidate
現地名: O-tert-ブチル-N,N'-ジイソプロピルイソ尿素
英語名: 2-tert-Butyl-1,3-diisopropylisourea
分子式: C11H24N2O
分子量: 200.32

名称と別名

71432-55-82-TERT-BUTYL-1,3-DIISOPROPYLISOUREADTXSID70453004RefChem:483594DTXCID30403823846-712-2tert-Butyl N,N'-diisopropylcarbamimidateMFCD066576722-tert-butyl-1,3-diisopropyl-isoureaO-tert-butyl-N,N'-diisopropylisoureaO-(tert-Butyl)-N,N'-diisopropylisoureao-t-butyl-n,n'-diisopropylisourea

名称をさらに表示

O-tert-ブチル-N,N'-ジイソプロピルイソ尿素2-tert-ブチル-1,3-ジイソプロピルイソ尿素2-TERT-BUTYL-1N,N'-diisopropyltert-butoxymethanimidamide3-DIISOPROPYLISOUREAO-tert-Butyl-N,N'-diisopropylisourea >tert-Butyl N,N'-diisopropylimidocarbamate

tert-butyl N,N'-di(propan-2-yl)carbamimidateN,N'-bis(propan-2-yl)(tert-butoxy)methanimidamideO-t-butyl-N,N'-diisopropylpseudoureaAKOS015841729tert-Butyl (E)-N,N'-diisopropylcarbamimidateN,N'-Bis(1-methylethyl)carbamimidic Acid 1,1-Dimethylethyl Ester; 2-tert-Butyl-1,3-diisopropylpseudourea; N,N'-Diisopropyl-O-tert-butylisourea; O-tert-Butyl-N,N'-diisopropylisourea; tert-Butyl N,N'-dipropan-2-ylcarbamimidateCarbamimidic acid, N,N'-bis(1-methylethyl)-, 1,1-dimethylethyl esterO-tert-butyl-N,N'-diiso

データベース識別子

CAS: 71432-55-8
PubChem CID: 11041782
DTXSID: DTXSID70453004
EC Number: 846-712-2
Nikkaji: J1.823.428I

物性

構造計算による物性

XLogP: 2.6
極性表面積: 33.6 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: 5
重原子数: 14
形式電荷: 0
複雑度: 190

物理化学的性質

沸点: 61 °C/10mmHg · 61°C/10mmHg(lit.)
比重(密度): 0.89 · 0.89±0.1 g/cm3(Predicted)
屈折率: 1.424 · 1.4240-1.4280
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
酸解離定数(Pka): 9.54 · 9.54±0.50(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
InChI: InChI=1S/C11H24N2O/c1-8(2)12-10(13-9(3)4)14-11(5,6)7/h8-9H,1-7H3,(H,12,13)
InChIKey: FESDUDPSRMWIDL-UHFFFAOYSA-N
SMILES: C(=NC(C)C)(OC(C)(C)C)NC(C)C

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (66.7%): 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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.