Cas no 88725-33-1 (Butanoic acid,4-amino-2-[(2-amino-2-carboxyethyl)thio]-)
![Butanoic acid,4-amino-2-[(2-amino-2-carboxyethyl)thio]- structure](https://ossimg.kuujia.com/scimg/89000/88725-33-1x500.png)
88725-33-1 structure
Product Name:Butanoic acid,4-amino-2-[(2-amino-2-carboxyethyl)thio]-
CAS No:88725-33-1
MF:C7H14N2O4S
MW:222.262060642242
CID:728529
Update Time:2024-01-31
Butanoic acid,4-amino-2-[(2-amino-2-carboxyethyl)thio]- Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid,4-amino-2-[(2-amino-2-carboxyethyl)thio]-
- 4-amino-2-(2-amino-2-carboxyethyl)sulfanylbutanoic acid
- 4-Amino-2-(S-cysteinyl)butyric acid
- Butanoic acid, 4-amino-2-[(2-amino-2-carboxyethyl)thio]-
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- Inchi： 1S/C7H14N2O4S/c8-2-1-5(7(12)13)14-3-4(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
- InChI Key： ZJIRFPOFCZNBAC-UHFFFAOYSA-N
- SMILES： C(O)(=O)C(SCC(N)C(O)=O)CCN
Computed Properties
- Exact Mass: 222.067
- Monoisotopic Mass: 222.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 212
- 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
Experimental Properties
- Density: 1.43
- Boiling Point: 466.5°C at 760 mmHg
- Flash Point: 235.9°C
- Refractive Index: 1.592
- pka: 2.02±0.10(Predicted)
Butanoic acid,4-amino-2-[(2-amino-2-carboxyethyl)thio]- Related Literature
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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