Cas no 31968-98-6 (2-Piperazineethanamine,N-ethyl-4-methyl-)
31968-98-6 structure
Product Name:2-Piperazineethanamine,N-ethyl-4-methyl-
CAS No:31968-98-6
MF:C9H21N3
MW:171.283141851425
CID:300188
PubChem ID:12267734
Update Time:2025-04-19
2-Piperazineethanamine,N-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Piperazineethanamine,N-ethyl-4-methyl-
- N-ethyl-2-(4-methylpiperazin-2-yl)ethanamine
- 1-Methyl-3-[2-(ethylamino)ethyl]piperazine
- Piperazine,3-[2-(ethylamino)ethyl]-1-methyl- (8CI)
- 31968-98-6
- 2-Piperazineethanamine,N-ethyl-4-methyl-(9CI)
- N-Ethyl-2-(4-methylpiperazin-2-yl)ethan-1-amine
- ethyl-[2-(4-methyl-piperazin-2-yl)-ethyl]-amine
- DTXSID00483197
-
- Inchi： 1S/C9H21N3/c1-3-10-5-4-9-8-12(2)7-6-11-9/h9-11H,3-8H2,1-2H3
- InChI Key： YVOBFOBRRDUCNI-UHFFFAOYSA-N
- SMILES： N1(C)CCNC(CCNCC)C1
Computed Properties
- Exact Mass: 171.17373
- Monoisotopic Mass: 171.173547683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 27.3?2
Experimental Properties
- PSA: 27.3
2-Piperazineethanamine,N-ethyl-4-methyl- Related Literature
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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