Cas no 58713-21-6 (1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, hydrochloride (1:?))
![1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, hydrochloride (1:?) structure](https://ossimg.kuujia.com/scimg/59000/58713-21-6x500.png)
58713-21-6 structure
Product Name:1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, hydrochloride (1:?)
CAS No:58713-21-6
MF:C6H13ClN4
MW:176.647219419479
CID:386112
PubChem ID:22339066
Update Time:2025-04-19
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, hydrochloride (1:?) Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, hydrochloride (1:?)
- LogP
- 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, hydrochloride (9CI)
- Hexamethylenetetramine hydrochloride
- Urotropine hydrochloride
- Urotropine monohydrochloride
- METHENAMINE MONOHYDROCHLORIDE
- Hexamethylenetetramine hydrogen chloride
- Pellurin
- 1,3,5,7-Tetraazatricyclo3.3.1.13,7decane,hydrochloride
- 24360-05-2
- Hexamethylenetetramine, monohydrochloride
- Q27273568
- 1,3,5,7-Tetraazatricyclo(3.3.1.1(3,7))decane, monohydrochloride
- 58713-21-6
- A3F8KN5WMU
- METHENAMINE MONOHYDROCHLORIDE [WHO-DD]
- 1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane, monohydrochloride
- 1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane, hydrochloride
- Methenamine hydrochloride
- 1,3,5,7-TETRAAZATRICYCLO(3.3.1.13,7)DECANE, HYDROCHLORIDE (1:1)
- UNII-A3F8KN5WMU
- EINECS 246-206-6
- DTXSID4051902
- Hexamethylene tetramine hydrochloride
-
- Inchi： 1S/C6H12N4.ClH/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h1-6H2;1H
- InChI Key： NGDSBQHTMKGUQU-UHFFFAOYSA-N
- SMILES： Cl.N12CN3CN(CN(C3)C1)C2
Computed Properties
- Exact Mass: 176.08309
- Monoisotopic Mass: 176.0828741g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 84.8
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 13?2
Experimental Properties
- Boiling Point: 239.7°C at 760 mmHg
- Flash Point: 98.8°C
- PSA: 12.96
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, hydrochloride (1:?) Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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