Cas no 117307-08-1 (3,4-dimethyl-2,5-Pyrrolidinedione)
117307-08-1 structure
Product Name:3,4-dimethyl-2,5-Pyrrolidinedione
CAS No:117307-08-1
MF:C6H9NO2
MW:127.141161680222
CID:1100475
Update Time:2024-07-25
3,4-dimethyl-2,5-Pyrrolidinedione Chemical and Physical Properties
Names and Identifiers
-
- 3,4-dimethyl-2,5-Pyrrolidinedione
- 2,5-Pyrrolidinedione, 3,4-dimethyl-, (3R-trans)- (9CI)
-
- Inchi： 1S/C6H9NO2/c1-3-4(2)6(9)7-5(3)8/h3-4H,1-2H3,(H,7,8,9)/t3-,4-/m1/s1
- InChI Key： KKDOXQYWUITYNG-QWWZWVQMSA-N
- SMILES： N1C(=O)[C@H](C)[C@@H](C)C1=O
Computed Properties
- Exact Mass: 127.063
- Monoisotopic Mass: 127.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 146
- 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
Experimental Properties
- Density: 1.079
- Boiling Point: 261.1°C at 760 mmHg
- Flash Point: 129°C
- Refractive Index: 1.447
- PSA: 46.17000
- LogP: 0.24380
- pka: 9.70±0.70(Predicted)
3,4-dimethyl-2,5-Pyrrolidinedione Related Literature
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
117307-08-1 (3,4-dimethyl-2,5-Pyrrolidinedione) Related Products
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