Cas no 191476-56-9 (2,5-Piperazinedione,1-(cyclopropylmethyl)-4-methyl-)
191476-56-9 structure
Product Name:2,5-Piperazinedione,1-(cyclopropylmethyl)-4-methyl-
CAS No:191476-56-9
MF:C9H14N2O2
MW:182.219662189484
CID:116010
PubChem ID:45099831
Update Time:2025-04-18
2,5-Piperazinedione,1-(cyclopropylmethyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Piperazinedione,1-(cyclopropylmethyl)-4-methyl-
- 1-(CYCLOPROPYLMETHYL)-4-METHYLPIPERAZINE-2,5-DIONE
- 2,5-Piperazinedione,1-(cyclopropylmethyl)-4-methyl-(9CI)
- 191476-56-9
- DTXSID50668159
-
- Inchi: 1S/C9H14N2O2/c1-10-5-9(13)11(6-8(10)12)4-7-2-3-7/h7H,2-6H2,1H3
- InChI Key: XOQOJLKQDAOAOC-UHFFFAOYSA-N
- SMILES: O=C1CN(C)C(CN1CC1CC1)=O
Computed Properties
- Exact Mass: 182.10562
- Monoisotopic Mass: 182.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 248
- 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
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: -0.2
- Topological Polar Surface Area: 40.6A^2
Experimental Properties
- PSA: 40.62
2,5-Piperazinedione,1-(cyclopropylmethyl)-4-methyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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