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2-[bis(1,1-dimethylethyl)phosphino]-N,N-diethyl-Benzamide
CAS:
779339-46-7
MW:
321.4
MF:
C19H32NOP
 
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Names and ldentifier
Properties
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
2-[bis(1,1-dimethylethyl)phosphino]-N,N-diethyl-Benzamide
1.2 Synonyms
Benzamide, 2-[bis(1,1-dimethylethyl)phosphino]-N,N-diethyl-;
1.3 CAS No.
779339-46-7
1.4 CID
11771605
1.5 Molecular Formula
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 InChkey
RXWGCXGINNUNOL-UHFFFAOYSA-N
1.8 Canonical Smiles
CCN(CC)C(=O)C1=CC=CC=C1P(C(C)(C)C)C(C)(C)C
1.9 Isomers Smiles
CCN(CC)C(=O)C1=CC=CC=C1P(C(C)(C)C)C(C)(C)C
2. Properties
2.1 pKa
-1.27±0.70(Predicted)
3. Computed Properties
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 Suppliers
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Henan Sinotech Import&Export Corporation
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2023/07/01
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2019/02/25
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5. Realated Product Infomation
Pyridine, 2-[[[2-[[bis(1,1-dimethylethyl)phosphino]methyl]phenyl]methyl](1,1-dimethylethyl)phosphino]-
cas:2410085-45-7
Benzamide, 2,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-N,N-diethyl-
cas:132260-53-8
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. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2. Properties
2.1 pKa
3.
Computational chemical data
4.
Toltal 4 Suppliers
5.
Realated Product Infomation
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