Cas no 52558-70-0 (Butanoic acid,4-[(1-oxododecyl)amino]-)
![Butanoic acid,4-[(1-oxododecyl)amino]- structure](https://ossimg.kuujia.com/scimg/53000/52558-70-0x500.png)
52558-70-0 structure
Product Name:Butanoic acid,4-[(1-oxododecyl)amino]-
CAS No:52558-70-0
MF:C16H31NO3
MW:285.422245264053
CID:371413
PubChem ID:3016758
Update Time:2025-04-19
Butanoic acid,4-[(1-oxododecyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-[(1-oxododecyl)amino]-
- 4-(dodecanoylamino)butanoic acid
- N-dodecanoyl-4-aminobutyric acid
- AKOS014786223
- Q27236235
- 4-Dodecanoylamino-butyric acid
- N-LAUROYL-.GAMMA.-AMINOBUTYRIC ACID
- 52558-70-0
- CHEMBL160859
- DTXSID20200540
- N-DODECANOYL-.GAMMA.-AMINOBUTYRIC ACID
- UNII-0703MG9MX4
- 0703MG9MX4
- Butanoic acid, 4-[(1-oxododecyl)amino]-
- 4RO12
- Butanoic acid, 4-((1-oxododecyl)amino)-
- N-lauroyl-4-aminobutyric acid
- SCHEMBL2769524
- N-Dodecanoyl-GABA
-
- Inchi： 1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)
- InChI Key： BIXOTZHITGYMGF-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCC)NCCCC(=O)O
Computed Properties
- Exact Mass: 285.23053
- Monoisotopic Mass: 285.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 254
- 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: 4.6
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- Density: 0.973
- Boiling Point: 481.3°Cat760mmHg
- Flash Point: 244.9°C
- Refractive Index: 1.467
- PSA: 66.4
Butanoic acid,4-[(1-oxododecyl)amino]- Related Literature
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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
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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