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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
CAS:
779339-46-7
MW:
321.4
MF:
C19H32NOP
 
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名前と識別子
性質
計算化学データ
実際の製品情報
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 No.
779339-46-7
1.4 CID
11771605
1.5 分子式
C19H32NOP
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 pKa
-1.27±0.70(Predicted)
3. 計算化学データ
Molecular Weight:
321.4g/mol
Molecular Formula:
C
19
H
32
NOP
Compound Is Canonicalized:
True
Exact Mass:
3.7
XLogP3-AA:
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. Toltal 4 しいれ業者
詳細を表示
Henan Sinotech Import&Export Corporation
Tel:
Update Time:
2023/07/01
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Henan Kingorgchem Chemical Technology Co., Ltd.
Tel:
Update Time:
2019/02/25
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GM CHMICAL CO., LTD
Tel:
Update Time:
2019/02/25
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Henan Kingorchem Chemical Technology Co., Ltd.
Tel:
Update Time:
2019/04/01
inquire
5. 実際の製品情報
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Palladium, [2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC][1-[bis(1,1-dimethylethyl)phosphino-κP]-1'-[bis(1,1-dimethylethyl)phosphino]ferrocene](methanesulfonato-κO)-
cas:2408294-08-4
Benzamide,4-(1,1-dimethylethyl)-N,N-diethyl-
cas:20916-70-5
BIS(PHOSPHINO)METHANE
cas:5518-61-6
Bis[bis(isopropyloxy)phosphino] perpentasulfide
cas:7464-03-1
1. 名前と識別子
1.1 商品名
1.2 同義語
1.3 CAS No.
1.4 分子式
1.5 Inchi
1.6 InchiKey
1.7 標準的な SMILES
1.8 異性体 SMILES
2. 性質
2.1 pKa
3.
計算化学データ
4.
Toltal 4 しいれ業者
5.
実際の製品情報
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