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2-[Bis(1,1-dimethylethyl)phosphino]-N,N-diethyl-Benzamid
1. Namen und Bezeichner
- 1.1 Produktname
- 2-[Bis(1,1-dimethylethyl)phosphino]-N,N-diethyl-Benzamid
- 1.2 Synonyme
- 2-[Bis(1,1-dimethylethyl)phosphino]-N,N-diethyl-Benzamid
- 1.3 CAS No.
- 779339-46-7
- 1.4 CID
- 11771605
- 1.5 Summenformel
- 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 Kanonisch SMILES
- CCN(CC)C(=O)C1=CC=CC=C1P(C(C)(C)C)C(C)(C)C
- 1.9 Isomere SMILES
- CCN(CC)C(=O)C1=CC=CC=C1P(C(C)(C)C)C(C)(C)C
2. Eigenschaften
- 2.1 pKa
- -1.27±0.70(Predicted)
3. Computerchemische Daten
- Molecular Weight：321.4g/mol
- Molecular Formula：C19H32NOP
- 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==
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Tel:
Update Time:2023/07/01
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Tel:
Update Time:2019/02/25
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Tel:
Update Time:2019/02/25
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Tel:
Update Time:2019/04/01
5. Realisierte Produktinformationen
DE![2-[Bis(1,1-dimethylethyl)phosphino]-N,N-diethyl-Benzamid structure](https://structimg.guidechem.com/2/2/1594561.png)
![2-[bis(1,1-dimethylethyl)phosphino]-N,N-diethyl-Benzamide](https://img.guidechem.com/newcas/779339-46-7.com//)
