Cas no 132056-21-4 (L-Asparagine,N2-ethylidene-)
L-Asparagine,N2-ethylidene- structure
Product Name:L-Asparagine,N2-ethylidene-
CAS No:132056-21-4
MF:C6H10N2O3
MW:158.155201435089
CID:102210
PubChem ID:45082286
Update Time:2025-04-18
L-Asparagine,N2-ethylidene- Chemical and Physical Properties
Names and Identifiers
-
- L-Asparagine,N2-ethylidene-
- L-Asparagine, N2-ethylidene- (9CI)
- (S)-4-Amino-2-(ethylideneamino)-4-oxobutanoicacid
- 132056-21-4
- (S)-4-Amino-2-(ethylideneamino)-4-oxobutanoic acid
-
- Inchi： 1S/C6H10N2O3/c1-2-8-4(6(10)11)3-5(7)9/h2,4H,3H2,1H3,(H2,7,9)(H,10,11)/b8-2+/t4-/m0/s1
- InChI Key： WWPQOSSGQNCTJV-JYYNAFNISA-N
- SMILES： OC([C@H](CC(N)=O)/N=C/C)=O
Computed Properties
- Exact Mass: 158.0692
- Monoisotopic Mass: 158.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 188
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.5
- Topological Polar Surface Area: 92.8?2
Experimental Properties
- PSA: 92.75
L-Asparagine,N2-ethylidene- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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