Cas no 116818-76-9 (1-Piperazinecarboxamide,N-(2-hydroxyethyl)-4-methyl-)
116818-76-9 structure
Product Name:1-Piperazinecarboxamide,N-(2-hydroxyethyl)-4-methyl-
CAS No:116818-76-9
MF:C8H17N3O2
MW:187.239481687546
CID:132618
PubChem ID:14084850
Update Time:2025-04-19
1-Piperazinecarboxamide,N-(2-hydroxyethyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarboxamide,N-(2-hydroxyethyl)-4-methyl-
- N-(2-HYDROXYETHYL)-4-METHYLPIPERAZINE-1-CARBOXAMIDE
- 1-Piperazinecarboxamide,N-(2-hydroxyethyl)-4-methyl-(9CI)
- ETHYL (4-AMINOPIPERAZIN-1-YL)ACETATE
- SCHEMBL4578439
- DTXSID30555598
- 116818-76-9
-
- Inchi： 1S/C8H17N3O2/c1-10-3-5-11(6-4-10)8(13)9-2-7-12/h12H,2-7H2,1H3,(H,9,13)
- InChI Key： OPWWESRJWHOPFK-UHFFFAOYSA-N
- SMILES： O=C(NCCO)N1CCN(C)CC1
Computed Properties
- Exact Mass: 187.13221
- Monoisotopic Mass: 187.132076794g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 167
- 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
- XLogP3: -1.3
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.81
1-Piperazinecarboxamide,N-(2-hydroxyethyl)-4-methyl- Related Literature
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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