Cas no 54608-29-6 (2H-1,3,2-Oxazaphosphorine, 2-chlorotetrahydro-3-(1-methylethyl)-)
54608-29-6 structure
Product Name:2H-1,3,2-Oxazaphosphorine, 2-chlorotetrahydro-3-(1-methylethyl)-
CAS No:54608-29-6
MF:C6H13ClNOP
MW:181.600281476974
CID:354138
PubChem ID:12730248
Update Time:2025-04-19
2H-1,3,2-Oxazaphosphorine, 2-chlorotetrahydro-3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,3,2-Oxazaphosphorine, 2-chlorotetrahydro-3-(1-methylethyl)-
- 2-chloro-3-propan-2-yl-1,3,2-oxazaphosphinane
- 54608-29-6
- 2-Chloro-3-(propan-2-yl)-1,3,2-oxazaphosphinane
- DTXSID60508310
-
- Inchi： 1S/C6H13ClNOP/c1-6(2)8-4-3-5-9-10(8)7/h6H,3-5H2,1-2H3
- InChI Key： OGDKYKHSBLDYLX-UHFFFAOYSA-N
- SMILES： ClP1N(CCCO1)C(C)C
Computed Properties
- Exact Mass: 181.04249
- Monoisotopic Mass: 181.0423287g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- PSA: 12.47
- LogP: 2.52070
2H-1,3,2-Oxazaphosphorine, 2-chlorotetrahydro-3-(1-methylethyl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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