Cas no 114420-45-0 (Piperazine,2,5-bis(1-methylethyl)-, trans- (9CI))
114420-45-0 structure
Product Name:Piperazine,2,5-bis(1-methylethyl)-, trans- (9CI)
CAS No:114420-45-0
MF:C10H22N2
MW:170.295082569122
CID:132377
PubChem ID:45099559
Update Time:2025-04-19
Piperazine,2,5-bis(1-methylethyl)-, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Piperazine,2,5-bis(1-methylethyl)-, trans- (9CI)
- (2R,5S)-2,5-BIS(1-METHYLETHYL)
- (2R,5S)-2,5-di(propan-2-yl)piperazine
- (2R,5S)-2,5-BIS(1-METHYLETHYL)PIPERAZINE
- (2R,5S)-2,5-DIISOPROPYLPIPERAZINE
- (2S,5R)-2,5-DIISOPROPYL-PIPERAZINE
- AB48059
- AG-D-34679
- CTK4A8727
- PIPERAZINE, 2,5-BIS(1-METHYLETHYL)-, TRANS-
- Piperazine, 2,5-bis(1-methylethyl)-, trans- (9CI)
- 114420-45-0
- AKOS006291755
-
- Inchi： 1S/C10H22N2/c1-7(2)9-5-12-10(6-11-9)8(3)4/h7-12H,5-6H2,1-4H3/t9-,10+
- InChI Key： DQGHKEGZZQBHHA-AOOOYVTPSA-N
- SMILES： N1C[C@@H](C(C)C)NC[C@@H]1C(C)C
Computed Properties
- Exact Mass: 170.17846
- Monoisotopic Mass: 170.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 116
- 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: 24.1A^2
- XLogP3: 1.9
Experimental Properties
- PSA: 24.06
Piperazine,2,5-bis(1-methylethyl)-, trans- (9CI) Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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