Cas no 59759-95-4 (Pentanoic acid,2-amino-3,4,4-trimethyl-)
59759-95-4 structure
Product Name:Pentanoic acid,2-amino-3,4,4-trimethyl-
Pentanoic acid,2-amino-3,4,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,2-amino-3,4,4-trimethyl-
- DTXSID50310707
- 59759-95-4
- NSC230432
- NSC-230432
-
- Inchi： 1S/C8H17NO2/c1-5(8(2,3)4)6(9)7(10)11/h5-6H,9H2,1-4H3,(H,10,11)
- InChI Key： VSVANDHBXJEGCX-UHFFFAOYSA-N
- SMILES： OC(C(C(C)C(C)(C)C)N)=O
Computed Properties
- Exact Mass: 159.12601
- Monoisotopic Mass: 159.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.1
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- Density: 0.997
- Boiling Point: 247.2°C at 760 mmHg
- Flash Point: 103.3°C
- Refractive Index: 1.464
- PSA: 63.32
Pentanoic acid,2-amino-3,4,4-trimethyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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