Cas no 63365-27-5 (Benzonitrile, 2-amino-6-(ethylamino)-)
63365-27-5 structure
Product Name:Benzonitrile, 2-amino-6-(ethylamino)-
CAS No:63365-27-5
MF:C9H11N3
MW:161.203741312027
CID:959949
PubChem ID:12715718
Update Time:2025-04-19
Benzonitrile, 2-amino-6-(ethylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-amino-6-(ethylamino)-
- 63365-27-5
- SCHEMBL2417745
- XIDLKNXPGSMUDN-UHFFFAOYSA-N
- BENZONITRILE,2-AMINO-6-(ETHYLAMINO)-
- 2-Amino-6-(ethylamino)benzonitrile
- DB-325952
- Benzonitrile, 2-amino-6-(ethylamino)-
- 2-amino-6-ethylaminobenzonitrile
-
- Inchi： 1S/C9H11N3/c1-2-12-9-5-3-4-8(11)7(9)6-10/h3-5,12H,2,11H2,1H3
- InChI Key： XIDLKNXPGSMUDN-UHFFFAOYSA-N
- SMILES： N(CC)C1C=CC=C(C=1C#N)N
Computed Properties
- Exact Mass: 161.095297364g/mol
- Monoisotopic Mass: 161.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 182
- 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: 1.9
- Topological Polar Surface Area: 61.8?2
Benzonitrile, 2-amino-6-(ethylamino)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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