Cas no 114781-07-6 (Octanoic acid,2-amino-2-ethyl-)
114781-07-6 structure
Product Name:Octanoic acid,2-amino-2-ethyl-
CAS No:114781-07-6
MF:C10H21NO2
MW:187.27924323082
CID:130459
PubChem ID:13956166
Update Time:2025-04-19
Octanoic acid,2-amino-2-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid,2-amino-2-ethyl-
- 2-AMINO-2-ETHYLOCTANOIC ACID
- 2‐AMINO‐2‐ETHYLOCTANOIC ACID
- FT-0690319
- FT-0691530
- alpha-hexyl-alpha-amino-n-butyric acid
- SCHEMBL23829640
- DTXSID70921495
- AKOS006294688
- 114781-07-6
- 2-Amino-2-ethyl octanoic acid
- FT-0690346
- Benzenebutanoicacid,3-bromo-
-
- Inchi： 1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)
- InChI Key： NKBJUCYPZSRVDF-UHFFFAOYSA-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: 0
- Undefined Atom Stereocenter Count : 1
- 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- Related Literature
-
1. Chemo–enzymic synthesis of optically active α,α-disubstituted α-amino acidsWeiguo Liu,Paul Ray,Steven A. Benezra J. Chem. Soc. Perkin Trans. 1 1995 553
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