Cas no 57119-37-6 (Glycine, N,N'-1,3-propanediylbis-)
57119-37-6 structure
Product Name:Glycine, N,N'-1,3-propanediylbis-
CAS No:57119-37-6
MF:C7H14N2O4
MW:190.197062015533
CID:346413
Update Time:2024-01-28
Glycine, N,N'-1,3-propanediylbis- Chemical and Physical Properties
Names and Identifiers
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- Glycine, N,N'-1,3-propanediylbis-
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- MDL: MFCD00142534
- Inchi: 1S/C7H14N2O4/c10-6(11)4-8-2-1-3-9-5-7(12)13/h8-9H,1-5H2,(H,10,11)(H,12,13)
- InChI Key: RKPHYUBLENEQNT-UHFFFAOYSA-N
- SMILES: C(NCC(O)=O)CCNCC(O)=O
Computed Properties
- Exact Mass: 190.09542
- Monoisotopic Mass: 190.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 98.7A^2
Experimental Properties
- Density: 1.259
- Melting Point: 210-213 °C(Solv: ethanol (64-17-5))
- Boiling Point: 419.6°C at 760 mmHg
- Flash Point: 207.6°C
- Refractive Index: 1.505
- PSA: 98.66
- pka: 1.97±0.10(Predicted)
Glycine, N,N'-1,3-propanediylbis- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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