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2- [ビス(1,1-ジメチルエチル)ホスフィノ] -N、N-ジエチル-ベンズアミド 分子構造
2- [ビス(1,1-ジメチルエチル)ホスフィノ] -N、N-ジエチル-ベンズアミド 分子構造

2- [ビス(1,1-ジメチルエチル)ホスフィノ] -N、N-ジエチル-ベンズアミド

IUPAC名称:2-ditert-butylphosphanyl-N,N-diethylbenzamide
CAS登録番号: 779339-46-7
分子量:321.437241
1. 名前と識別子
1.1 商品名
2- [ビス(1,1-ジメチルエチル)ホスフィノ] -N、N-ジエチル-ベンズアミド
1.2 同義語

2- [ビス(1,1-ジメチルエチル)ホスフィノ] -N、N-ジエチル-ベンズアミド

1.3 CAS登録番号
779339-46-7
1.4 CID
11771605
1.5 分子式
C19H32NOP (isomer)
1.6 Inchi
InChI=1S/C19H32NOP/c1-9-20(10-2)17(21)15-13-11-12-14-16(15)22(18(3,4)5)19(6,7)8/h11-14H,9-10H2,1-8H3
1.7 InchiKey
RXWGCXGINNUNOL-UHFFFAOYSA-N
1.8 標準的な SMILES
CCN(CC)C(=O)C1=CC=CC=C1P(C(C)(C)C)C(C)(C)C
1.9 異性体 SMILES
CCN(CC)C(=O)C1=CC=CC=C1P(C(C)(C)C)C(C)(C)C
2. 性質
2.1 融点
58 - 60 °C
2.2 沸騰点
435.2±28.0 °C(Predicted)
2.3 よび点
217.0±24.0 °C
2.4 logP
4.31
2.5 pKa
-1.27±0.70(Predicted)
3. 計算化学データ
  • 分子: 321.4g/mol
  • 分子式: C19H32NOP
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.7
  • Exact Mass: 321.22215164
  • Monoisotopic Mass: 321.22215164
  • Complexity: 349
  • Rotatable Bond Count: 6
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 20.3
  • Heavy Atom Count: 22
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcfB6IAIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHggAAAAADADBmAQyAIMAACCIAiFSEACCAAAkAAAIiAEIBMgIIDKAlRGEIQhghgCIiYcYiACOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. 推奨ベンダー
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2-[bis(1,1-dimethylethyl)phosphino]-N,N-diethyl-Benzamide
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/metric ton
  • Time: 2023/07/01
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2-[bis(1,1-dimethylethyl)phosphino]-N,N-diethyl-Benzamide
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
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  • Tel:0086-21-6167 5600
2-[bis(1,1-dimethylethyl)phosphino]-N,N-diethylbenzamide [779339-46-7]
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
Inquire
2-?[bis(1,?1-?dimethylethyl)?phosphino]?-?N,?N-?diethyl-Benzamide
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
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5. 実際の製品情報