Cas no 208468-77-3 (Ethanone,2-amino-1-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-, rel-)
![Ethanone,2-amino-1-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-, rel- structure](https://ossimg.kuujia.com/scimg/208500/208468-77-3x500.png)
208468-77-3 structure
Product Name:Ethanone,2-amino-1-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-, rel-
CAS No:208468-77-3
MF:C8H17N3O
MW:171.240081548691
CID:242036
PubChem ID:54226822
Update Time:2025-04-19
Ethanone,2-amino-1-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-, rel- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-amino-1-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-, rel-
- Piperazine,1-(aminoacetyl)-3,5-dimethyl-, (3R,5S)-rel- (9CI)
- 2-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]-2-OXOETHANAMINE
- SCHEMBL7498965
- 2-Amino-1-[(3R,5S)-3,5-dimethyl-1-piperazinyl]ethanone
- 208468-77-3
- Piperazine,1-(aminoacetyl)-3,5-dimethyl-,(3R,5S)-rel-(9ci)
-
- Inchi： 1S/C8H17N3O/c1-6-4-11(8(12)3-9)5-7(2)10-6/h6-7,10H,3-5,9H2,1-2H3/t6-,7+
- InChI Key： QGKRCKLJPUJYNP-KNVOCYPGSA-N
- SMILES： O=C(CN)N1C[C@@H](C)N[C@@H](C)C1
Computed Properties
- Exact Mass: 171.137162174g/mol
- Monoisotopic Mass: 171.137162174g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 162
- 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
- XLogP3: -1
- Topological Polar Surface Area: 58.4?2
Ethanone,2-amino-1-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-, rel- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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