Cas no 169892-02-8 (1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride)
169892-02-8 structure
Product Name:1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride
CAS No:169892-02-8
MF:C12H26ClNO2
MW:251.793343067169
CID:1356530
PubChem ID:10332420
Update Time:2025-04-20
1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride
- 5-carboxypentyl(triethyl)azanium,chloride
- DTXSID90438277
- CHEMBL2074742
- 169892-02-8
-
- Inchi： 1S/C12H25NO2.ClH/c1-4-13(5-2,6-3)11-9-7-8-10-12(14)15;/h4-11H2,1-3H3;1H
- InChI Key： PFUQWEKHIPEYDW-UHFFFAOYSA-N
- SMILES： [Cl-].OC(CCCCC[N+](CC)(CC)CC)=O
Computed Properties
- Exact Mass: 224.9618
- Monoisotopic Mass: 251.1652068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 168
- 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: 37.3?2
Experimental Properties
- PSA: 36.97
1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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