Cas no 612493-89-7 ( )
structure
Product Name:
CAS No:612493-89-7
MF:C7H14N2O
MW:142.198861598969
CID:954196
PubChem ID:11435008
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Piperazine, 1-acetyl-3-methyl-, (3S)- (9CI)
- (3S)-1-acetyl-3-methylpiperazine
- 1-[(3S)-3-Methyl-1-piperazinyl]ethanone
- (S)-1-(3-Methylpiperazin-1-yl)ethanone
- AKOS006359259
- SCHEMBL2418461
- DTXSID601279795
- 1-[(3S)-3-METHYLPIPERAZIN-1-YL]ETHANONE
- BRAYYCBKNOERRJ-LURJTMIESA-N
- 612493-89-7
- CS-0370745
-
-
- Inchi： 1S/C7H14N2O/c1-6-5-9(7(2)10)4-3-8-6/h6,8H,3-5H2,1-2H3/t6-/m0/s1
- InChI Key： BRAYYCBKNOERRJ-LURJTMIESA-N
- SMILES： O=C(C)N1CCN[C@@H](C)C1
Computed Properties
- Exact Mass: 142.110613074g/mol
- Monoisotopic Mass: 142.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 136
- 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: -0.5
- Topological Polar Surface Area: 32.3?2
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
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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