Cas no 123704-87-0 (1,3,2-Diazaphosphorine, 2-chlorohexahydro-1,3-bis(1-methylethyl)-)
123704-87-0 structure
Product Name:1,3,2-Diazaphosphorine, 2-chlorohexahydro-1,3-bis(1-methylethyl)-
CAS No:123704-87-0
MF:C9H20ClN2P
MW:222.695261955261
CID:1215253
PubChem ID:14296117
Update Time:2025-04-20
1,3,2-Diazaphosphorine, 2-chlorohexahydro-1,3-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,2-Diazaphosphorine, 2-chlorohexahydro-1,3-bis(1-methylethyl)-
- 2-chloro-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane
- 123704-87-0
- DTXSID10558608
-
- Inchi： 1S/C9H20ClN2P/c1-8(2)11-6-5-7-12(9(3)4)13(11)10/h8-9H,5-7H2,1-4H3
- InChI Key： HZXVCEJYFXEUOG-UHFFFAOYSA-N
- SMILES： ClP1N(C(C)C)CCCN1C(C)C
Computed Properties
- Exact Mass: 222.1055
- Monoisotopic Mass: 222.1052633g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 148
- 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: 2.9
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48
1,3,2-Diazaphosphorine, 2-chlorohexahydro-1,3-bis(1-methylethyl)- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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