2- [bis (1,1-dimetiletil) fosfino] -N, N-dietil-benzamida
- IUPAC Nombre:2-ditert-butylphosphanyl-N,N-diethylbenzamide
- CAS Registry Number: 779339-46-7
- Peso molecular:321.437241
1. Nombres y Identificadores
- 1.1 Nombre del producto
- 2- [bis (1,1-dimetiletil) fosfino] -N, N-dietil-benzamida
- 1.2 Sinónimos
2- [bis (1,1-dimetiletil) fosfino] -N, N-dietil-benzamida
- 1.3 CAS Registry Number
- 779339-46-7
- 1.4 CID
- 11771605
- 1.5 Fórmula molecular
- 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 Canónico SMILES
- CCN(CC)C(=O)C1=CC=CC=C1P(C(C)(C)C)C(C)(C)C
- 1.9 Isómero SMILES
- CCN(CC)C(=O)C1=CC=CC=C1P(C(C)(C)C)C(C)(C)C
2. Propiedades
- 2.1 Punto de Derretimiento
- 58 - 60 °C
- 2.2 Punto de Hierro
- 435.2±28.0 °C(Predicted)
- 2.3 Punto de Flash
- 217.0±24.0 °C
- 2.4 logP
- 4.31
- 2.5 pKa
- -1.27±0.70(Predicted)
3. Datos químicos computacionales
- Peso molecular: 321.4g/mol
- Fórmula molecular: 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. Proveedores recomendados
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- Products:DMMP,TCPP,TEP
- Tel:86-371-86181678
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5. información real del producto
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2410085-45-7
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