Cas no 70776-65-7 (Propanoic acid, 3-mercapto-, compd. with 2-aminoethanol (1:1))
70776-65-7 structure
Product Name:Propanoic acid, 3-mercapto-, compd. with 2-aminoethanol (1:1)
CAS No:70776-65-7
MF:C5H13NO3S
MW:167.226620435715
CID:564098
PubChem ID:172612
Update Time:2025-04-19
Propanoic acid, 3-mercapto-, compd. with 2-aminoethanol (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-mercapto-, compd. with 2-aminoethanol (1:1)
- (2-hydroxyethyl)ammonium 3-mercaptopropionate
- 3-Mercaptopropionic acid, compound with 2-aminoethanol (1:1)
- 3-sulfanylpropanoic acid - 2-aminoethanol (1:1)
- DTXSID8072160
- 70776-65-7
- EINECS 274-873-3
-
- Inchi： 1S/C3H6O2S.C2H7NO/c4-3(5)1-2-6;3-1-2-4/h6H,1-2H2,(H,4,5);4H,1-3H2
- InChI Key： HPOPXQQVNOSELN-UHFFFAOYSA-N
- SMILES： SCCC(=O)O.OCCN
Computed Properties
- Exact Mass: 167.06169
- Monoisotopic Mass: 167.06161445g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 57.2
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 84.6?2
Experimental Properties
- PSA: 88
Propanoic acid, 3-mercapto-, compd. with 2-aminoethanol (1:1) Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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