Cas no 114410-20-7 (D-Proline,5-(1-methylethyl)-, trans- (9CI))
114410-20-7 structure
Product Name:D-Proline,5-(1-methylethyl)-, trans- (9CI)
CAS No:114410-20-7
MF:C8H15NO2
MW:157.210202455521
CID:132369
Update Time:2024-03-05
D-Proline,5-(1-methylethyl)-, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
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- D-Proline,5-(1-methylethyl)-, trans- (9CI)
- D-Proline, 5-(1-methylethyl)-, trans- (9CI)
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- Inchi： 1S/C8H15NO2/c1-5(2)6-3-4-7(9-6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m1/s1
- InChI Key： PIDBLIRWSBCSPG-RNFRBKRXSA-N
- SMILES： C(O)(=O)[C@H]1CC[C@H](C(C)C)N1
Computed Properties
- Exact Mass: 157.11035
- Monoisotopic Mass: 157.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.3A^2
Experimental Properties
- Density: 1.054±0.06 g/cm3(Predicted)
- Boiling Point: 270.8±33.0 °C(Predicted)
- PSA: 49.33
- pka: 2.34±0.40(Predicted)
D-Proline,5-(1-methylethyl)-, trans- (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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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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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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