Cas no 66279-77-4 ((R)-3-Carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium)
66279-77-4 structure
Product Name:(R)-3-Carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium
CAS No:66279-77-4
MF:C13H26NO4
MW:260.349844455719
CID:2844179
PubChem ID:3246939
Update Time:2025-04-21
(R)-3-Carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium Chemical and Physical Properties
Names and Identifiers
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- DTXCID40341464
- SCHEMBL21594810
- NCGC00024634-01
- (R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM
- CHEMBL1233250
- Tocris-0526
- (2R)-3-carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium
- Q27461043
- DTXSID30390603
- 66279-77-4
- (R)-3-Carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium
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- Inchi： 1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/p+1/t11-/m1/s1
- InChI Key： VVPRQWTYSNDTEA-LLVKDONJSA-O
- SMILES： O(C(CCCCC)=O)[C@H](CC(=O)O)C[N+](C)(C)C
Computed Properties
- Exact Mass: 260.18618331Da
- Monoisotopic Mass: 260.18618331Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 63.6?2
(R)-3-Carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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