Cas no 63245-05-6 (1-Heptanaminium, 7-carboxy-N,N,N-trimethyl-)
63245-05-6 structure
Product Name:1-Heptanaminium, 7-carboxy-N,N,N-trimethyl-
CAS No:63245-05-6
MF:C11H24NO2
MW:202.313763618469
CID:1649519
PubChem ID:14795080
Update Time:2025-04-21
1-Heptanaminium, 7-carboxy-N,N,N-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Heptanaminium, 7-carboxy-N,N,N-trimethyl-
- 7-carboxyheptyl(trimethyl)azanium
- DTXSID50564147
- SCHEMBL5533506
- 7-Carboxy-N,N,N-trimethylheptan-1-aminium
- 63245-05-6
-
- Inchi： 1S/C11H23NO2/c1-12(2,3)10-8-6-4-5-7-9-11(13)14/h4-10H2,1-3H3/p+1
- InChI Key： NTXQYUMKCORYOY-UHFFFAOYSA-O
- SMILES： OC(CCCCCCC[N+](C)(C)C)=O
Computed Properties
- Exact Mass: 202.18082
- Monoisotopic Mass: 202.180704008g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 161
- 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: 0.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
1-Heptanaminium, 7-carboxy-N,N,N-trimethyl- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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