Cas no 51220-40-7 (1-Propanaminium,3-carboxy-2-[(cyclobutylcarbonyl)oxy]-N,N,N-trimethyl-, inner salt, (R)- (9CI))
![1-Propanaminium,3-carboxy-2-[(cyclobutylcarbonyl)oxy]-N,N,N-trimethyl-, inner salt, (R)- (9CI) structure](https://ossimg.kuujia.com/scimg/51500/51220-40-7x500.png)
51220-40-7 structure
Product Name:1-Propanaminium,3-carboxy-2-[(cyclobutylcarbonyl)oxy]-N,N,N-trimethyl-, inner salt, (R)- (9CI)
CAS No:51220-40-7
MF:C12H21NO4
MW:243.29944396019
CID:371219
PubChem ID:6452372
Update Time:2025-04-19
1-Propanaminium,3-carboxy-2-[(cyclobutylcarbonyl)oxy]-N,N,N-trimethyl-, inner salt, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanaminium,3-carboxy-2-[(cyclobutylcarbonyl)oxy]-N,N,N-trimethyl-, inner salt, (R)- (9CI)
- cyclobutanecarbonylcarnitine
- DTXSID60965489
- (3R)-3-(cyclobutanecarbonyloxy)-4-(trimethylazaniumyl)butanoate
- 1-Propanaminium, 3-carboxy-2-((cyclobutylcarbonyl)oxy)-N,N,N-trimethyl-, inner salt, (R)-
- CBCC
- Cyclobutane-carbonyl-carnitine
- 51220-40-7
- 3-[(Cyclobutanecarbonyl)oxy]-4-(trimethylazaniumyl)butanoate
-
- Inchi： 1S/C12H21NO4/c1-13(2,3)8-10(7-11(14)15)17-12(16)9-5-4-6-9/h9-10H,4-8H2,1-3H3/t10-/m1/s1
- InChI Key： AKFOHAJXLDHIEH-SNVBAGLBSA-N
- SMILES： O(C(C1CCC1)=O)[C@H](CC(=O)[O-])C[N+](C)(C)C
Computed Properties
- Exact Mass: 243.14713
- Monoisotopic Mass: 243.147058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 286
- 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
- Topological Polar Surface Area: 66.4
- XLogP3: 1.4
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 66.43
1-Propanaminium,3-carboxy-2-[(cyclobutylcarbonyl)oxy]-N,N,N-trimethyl-, inner salt, (R)- (9CI) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
51220-40-7 (1-Propanaminium,3-carboxy-2-[(cyclobutylcarbonyl)oxy]-N,N,N-trimethyl-, inner salt, (R)- (9CI)) Related Products
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