Cas no 82884-99-9 (5-(4-pentylcyclohexyl)- ,trans-2-Pyrimidinecarbonitrile)
82884-99-9 structure
Product Name:5-(4-pentylcyclohexyl)- ,trans-2-Pyrimidinecarbonitrile
CAS No:82884-99-9
MF:C16H23N3
MW:257.373923540115
CID:988304
Update Time:2022-09-23
5-(4-pentylcyclohexyl)- ,trans-2-Pyrimidinecarbonitrile Chemical and Physical Properties
Names and Identifiers
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- 5-(4-pentylcyclohexyl)- ,trans-2-Pyrimidinecarbonitrile
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- Inchi： 1S/C16H23N3/c1-2-3-4-5-13-6-8-14(9-7-13)15-11-18-16(10-17)19-12-15/h11-14H,2-9H2,1H3/t13-,14-
- InChI Key： AJSUECRGTNBCCY-HDJSIYSDSA-N
- SMILES： C1(C#N)=NC=C([C@@H]2CC[C@@H](CCCCC)CC2)C=N1
Computed Properties
- Exact Mass: 257.189
- Monoisotopic Mass: 257.189
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 290
- 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
- Topological Polar Surface Area: 49.6A^2
5-(4-pentylcyclohexyl)- ,trans-2-Pyrimidinecarbonitrile Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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