Cas no 7228-39-9 ((1-carboxycyclooctyl)azanium)
(1-carboxycyclooctyl)azanium structure
Product Name:(1-carboxycyclooctyl)azanium
CAS No:7228-39-9
MF:C9H18NO2
MW:172.24472284317
CID:1754310
PubChem ID:5244179
Update Time:2025-04-21
(1-carboxycyclooctyl)azanium Chemical and Physical Properties
Names and Identifiers
-
- (1-carboxycyclooctyl)azanium
- 7228-39-9
- DTXSID40412805
-
- Inchi： 1S/C9H17NO2/c10-9(8(11)12)6-4-2-1-3-5-7-9/h1-7,10H2,(H,11,12)/p+1
- InChI Key： PJSQECUPWDUIBT-UHFFFAOYSA-O
- SMILES： OC(C1(CCCCCCC1)[NH3+])=O
Computed Properties
- Exact Mass: 172.13384
- Monoisotopic Mass: 172.133754
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 160
- 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: _0.8
- Topological Polar Surface Area: 64.9
Experimental Properties
- Boiling Point: 305.7°Cat760mmHg
- Flash Point: 138.7°C
- PSA: 64.94
(1-carboxycyclooctyl)azanium Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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