Cas no 103994-49-6 (Butanoic acid,2-(acetylamino)-3-amino-)
103994-49-6 structure
Product Name:Butanoic acid,2-(acetylamino)-3-amino-
CAS No:103994-49-6
MF:C6H12N2O3
MW:160.171081542969
CID:125984
PubChem ID:23319790
Update Time:2025-04-18
Butanoic acid,2-(acetylamino)-3-amino- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-(acetylamino)-3-amino-
- Butanoic acid, 2-(acetylamino)-3-amino-
- 2-acetamido-3-aminobutanoic acid
- 2-acetamido-3-aminobutyric acid
- BOSRVOUMJXSLLP-UHFFFAOYSA-N
- SCHEMBL10892861
- 103994-49-6
-
- Inchi： 1S/C6H12N2O3/c1-3(7)5(6(10)11)8-4(2)9/h3,5H,7H2,1-2H3,(H,8,9)(H,10,11)
- InChI Key： BOSRVOUMJXSLLP-UHFFFAOYSA-N
- SMILES： OC(C(C(C)N)NC(C)=O)=O
Computed Properties
- Exact Mass: 160.08486
- Monoisotopic Mass: 160.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 169
- 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
- Topological Polar Surface Area: 92.4A^2
- XLogP3: -3.6
Experimental Properties
- PSA: 92.42
Butanoic acid,2-(acetylamino)-3-amino- Related Literature
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Attila N. Lázár,Derek Clarke,Helen Adams,Abdur Razzaque Akanda,Sylvia Szabo,Robert J. Nicholls,Zoe Matthews,Dilruba Begum,Abul Fazal M. Saleh,Md. Anwarul Abedin,Andres Payo,Peter Kim Streatfield,Craig Hutton,M. Shahjahan Mondal,Abu Zofar Md. Moslehuddin Environ. Sci.: Processes Impacts, 2015,17, 1018-1031
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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