Cas no 145863-83-8 (2-(pentylamino)Benzonitrile)
2-(pentylamino)Benzonitrile structure
Product Name:2-(pentylamino)Benzonitrile
CAS No:145863-83-8
MF:C12H16N2
MW:188.268842697144
CID:2104631
PubChem ID:28601675
Update Time:2025-04-21
2-(pentylamino)Benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(pentylamino)Benzonitrile
- SCHEMBL4247250
- 145863-83-8
- DA-10175
- AKOS000261171
-
- Inchi： 1S/C12H16N2/c1-2-3-6-9-14-12-8-5-4-7-11(12)10-13/h4-5,7-8,14H,2-3,6,9H2,1H3
- InChI Key： CTLMURMKLCGOMK-UHFFFAOYSA-N
- SMILES： N(C1C=CC=CC=1C#N)CCCCC
Computed Properties
- Exact Mass: 188.131348519Da
- Monoisotopic Mass: 188.131348519Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 192
- 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: 4
- Topological Polar Surface Area: 35.8?2
2-(pentylamino)Benzonitrile Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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