Cas no 142759-00-0 (1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxoundecyl)oxy]-, inner salt)
![1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxoundecyl)oxy]-, inner salt structure](https://ossimg.kuujia.com/scimg/143000/142759-00-0x500.png)
142759-00-0 structure
Product Name:1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxoundecyl)oxy]-, inner salt
CAS No:142759-00-0
MF:C18H35NO4
MW:329.474806070328
CID:227763
PubChem ID:3072516
Update Time:2025-04-19
1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxoundecyl)oxy]-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxoundecyl)oxy]-, inner salt
- 4-(trimethylazaniumyl)-3-undecanoyloxybutanoate
- DTXSID60931629
- 142759-00-0
- SCHEMBL288242
- Undecanoylcarnitine
- Acylcarnitine C11:1
- BRN 3979022
- LMFA07070110
- FPUYBGZEWPJSDX-UHFFFAOYSA-N
- 1-Propanaminium, 3-carboxy-2-((1-oxoundecyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-
- Undecylcarnitine
- 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxoundecyl)oxy]-, inner salt
- 4-(trimethylazaniumyl)-3-(undecanoyloxy)butanoate
- CHEBI:172322
- Undecanoyl carnitine
-
- Inchi： 1S/C18H35NO4/c1-5-6-7-8-9-10-11-12-13-18(22)23-16(14-17(20)21)15-19(2,3)4/h16H,5-15H2,1-4H3
- InChI Key： FPUYBGZEWPJSDX-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C
Computed Properties
- Exact Mass: 329.25675
- Monoisotopic Mass: 329.257
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 14
- Complexity: 331
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxoundecyl)oxy]-, inner salt Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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