Cas no 58046-12-1 (dimethyl phenylphosphoramidate)
58046-12-1 structure
Product Name:dimethyl phenylphosphoramidate
CAS No:58046-12-1
MF:C8H12NO3P
MW:201.159543037415
CID:1608210
PubChem ID:185901
Update Time:2025-04-21
dimethyl phenylphosphoramidate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl phenylphosphoramidate
- N-dimethoxyphosphorylaniline
- SCHEMBL11911533
- dimethyl N-phenylphosphoramidate
- 58046-12-1
- DTXSID40206766
-
- Inchi: 1S/C8H12NO3P/c1-11-13(10,12-2)9-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,9,10)
- InChI Key: HZUANBCIIRHZIQ-UHFFFAOYSA-N
- SMILES: P(NC1C=CC=CC=1)(=O)(OC)OC
Computed Properties
- Exact Mass: 201.05556
- Monoisotopic Mass: 201.05548024g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.56
dimethyl phenylphosphoramidate Related Literature
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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