Cas no 1307239-44-6 (5-Amino-2-(4-ethylpiperazin-1-yl)benzonitrile)
1307239-44-6 structure
Product Name:5-Amino-2-(4-ethylpiperazin-1-yl)benzonitrile
CAS No:1307239-44-6
MF:C13H18N4
MW:230.308822154999
CID:1038272
PubChem ID:56828946
Update Time:2025-04-20
5-Amino-2-(4-ethylpiperazin-1-yl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-Amino-2-(4-ethylpiperazin-1-yl)benzonitrile
- 1307239-44-6
- DTXSID30718606
- A888680
- AKOS010536187
-
- MDL： MFCD13335184
- Inchi： 1S/C13H18N4/c1-2-16-5-7-17(8-6-16)13-4-3-12(15)9-11(13)10-14/h3-4,9H,2,5-8,15H2,1H3
- InChI Key： VMRVPZCOZRAHHA-UHFFFAOYSA-N
- SMILES： N1(CC)CCN(C2C=CC(=CC=2C#N)N)CC1
Computed Properties
- Exact Mass: 230.153146591g/mol
- Monoisotopic Mass: 230.153146591g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 287
- 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: 56.3?2
5-Amino-2-(4-ethylpiperazin-1-yl)benzonitrile Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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