Cas no 114781-19-0 (Octanoic acid,2-amino-2-ethyl-, (2S)-)
114781-19-0 structure
Product Name:Octanoic acid,2-amino-2-ethyl-, (2S)-
CAS No:114781-19-0
MF:C10H21NO2
MW:187.27924323082
CID:130460
PubChem ID:13956167
Update Time:2025-04-19
Octanoic acid,2-amino-2-ethyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid,2-amino-2-ethyl-, (2S)-
- (S)-2-AMINO-2-ETHYLOCTANOIC ACID
- (S)‐2‐AMINO‐2‐ETHYLOCTANOIC ACID
- (S)_2-Amino-2-ethyloctanoic acid
- MFCD05663542
- DTXSID50553278
- 114781-19-0
- (2S)-2-AMINO-2-ETHYLOCTANOIC ACID
- (S)-2-amino-2-ethyl octanoic acid
- AKOS006294689
- Octanoic acid, 2-amino-2-ethyl-, (2S)-
-
- Inchi： 1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m0/s1
- InChI Key： NKBJUCYPZSRVDF-JTQLQIEISA-N
- SMILES： OC([C@](CC)(CCCCCC)N)=O
Computed Properties
- Exact Mass: 187.15733
- Monoisotopic Mass: 187.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 159
- 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: 0.2
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
Octanoic acid,2-amino-2-ethyl-, (2S)- Related Literature
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
114781-19-0 (Octanoic acid,2-amino-2-ethyl-, (2S)-) Related Products
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- 52-52-8(Cycloleucine)
- 328-38-1((2R)-2-amino-4-methylpentanoic acid)
- 3059-97-0(D-Isovaline)
- 138751-02-7((2R)-2-amino-5-methyl-hexanoic acid)
- 31872-98-7(5-Methyl-L-norleucine)
- 61-90-5(L-Leucine)
- 22264-50-2(1-Aminocyclobutanecarboxylic acid)
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