Cas no 147557-08-2 (Ethanone,1-[2-(aminomethyl)-1-piperazinyl]-)
![Ethanone,1-[2-(aminomethyl)-1-piperazinyl]- structure](https://ossimg.kuujia.com/scimg/148000/147557-08-2x500.png)
147557-08-2 structure
Product Name:Ethanone,1-[2-(aminomethyl)-1-piperazinyl]-
CAS No:147557-08-2
MF:C7H15N3O
MW:157.213501214981
CID:100736
PubChem ID:45086089
Update Time:2025-04-18
Ethanone,1-[2-(aminomethyl)-1-piperazinyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[2-(aminomethyl)-1-piperazinyl]-
- 1-ACETYL-2-PIPERAZINEMETHANAMINE
- 1-[2-(aminomethyl)piperazin-1-yl]ethanone
- 2-Piperazinemethanamine, 1-acetyl- (9CI)
- 1-[2-(Aminomethyl)piperazin-1-yl]ethan-1-one
- DTXSID60665876
- SCHEMBL9540311
- 147557-08-2
-
- Inchi： 1S/C7H15N3O/c1-6(11)10-3-2-9-5-7(10)4-8/h7,9H,2-5,8H2,1H3
- InChI Key： VUVZMAMOBYDNSV-UHFFFAOYSA-N
- SMILES： O=C(C)N1CCNCC1CN
Computed Properties
- Exact Mass: 157.12165
- Monoisotopic Mass: 157.122
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 149
- 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
- Topological Polar Surface Area: 58.4A^2
- XLogP3: -1.8
Experimental Properties
- PSA: 58.36
Ethanone,1-[2-(aminomethyl)-1-piperazinyl]- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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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
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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