Cas no 52558-71-1 (Butanoic acid,4-[(1-oxooctadecyl)amino]-)
![Butanoic acid,4-[(1-oxooctadecyl)amino]- structure](https://ossimg.kuujia.com/scimg/53000/52558-71-1x500.png)
52558-71-1 structure
Product Name:Butanoic acid,4-[(1-oxooctadecyl)amino]-
CAS No:52558-71-1
MF:C22H43NO3
MW:369.581727266312
CID:374866
PubChem ID:162685
Update Time:2025-04-19
Butanoic acid,4-[(1-oxooctadecyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-[(1-oxooctadecyl)amino]-
- 4-(octadecanoylamino)butanoic acid
- GABA-stearamide
- DTXSID80200541
- BRN 2141113
- CHEBI:165565
- Butanoic acid, 4-[(1-oxooctadecyl)amino]-
- 4-Stearamidobutanoic acid
- UNII-5QDX39VO22
- GABA-steatamide
- N-octadecanoyl-gamma-aminobutyric acid
- N-stearoyl-4-aminobutyric acid
- 52558-71-1
- 5QDX39VO22
- Butanoic acid, 4-((1-oxooctadecyl)amino)-
- N-Stearoyl GABA
- N-Stearoyl GABA [French]
- 4-((1-Oxooctadecyl)amino)butanoic acid
- LMFA08020106
- N-OCTADECANOYL-4-AMINOBUTYRIC ACID
- SCHEMBL11677602
- Q27262746
-
- Inchi： 1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22(25)26/h2-20H2,1H3,(H,23,24)(H,25,26)
- InChI Key： CCGXSETVBNBVKJ-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCCCC)NCCCC(=O)O
Computed Properties
- Exact Mass: 369.32449
- Monoisotopic Mass: 369.324
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 20
- Complexity: 331
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 7.8
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- Density: 0.942
- Boiling Point: 546.7°C at 760 mmHg
- Flash Point: 284.4°C
- Refractive Index: 1.468
- PSA: 66.4
Butanoic acid,4-[(1-oxooctadecyl)amino]- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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