Cas no 223797-06-6 (Phenol,3-(hexahydro-1H-1,4-diazepin-1-yl)-)
223797-06-6 structure
Product Name:Phenol,3-(hexahydro-1H-1,4-diazepin-1-yl)-
CAS No:223797-06-6
MF:C11H16N2O
MW:192.257542610168
CID:244648
PubChem ID:22478525
Update Time:2025-04-19
Phenol,3-(hexahydro-1H-1,4-diazepin-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,3-(hexahydro-1H-1,4-diazepin-1-yl)-
- 1-(3-Hydroxyphenyl)-homopiperazine
- 3-(1,4-Diazepan-1-yl)phenol
- 3-[1,4]Diazepan-1-yl-phenol
- AG-E-63557
- CTK4E9347
- D67180
- SureCN6348865
- 223797-06-6
- SCHEMBL6348865
- AKOS006332035
- DTXSID00625994
-
- Inchi： 1S/C11H16N2O/c14-11-4-1-3-10(9-11)13-7-2-5-12-6-8-13/h1,3-4,9,12,14H,2,5-8H2
- InChI Key： FJCDUDLEMKEZCV-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1)N1CCNCCC1
Computed Properties
- Exact Mass: 192.12638
- Monoisotopic Mass: 192.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 175
- 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: 1.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.5
Phenol,3-(hexahydro-1H-1,4-diazepin-1-yl)- Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
223797-06-6 (Phenol,3-(hexahydro-1H-1,4-diazepin-1-yl)-) Related Products
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