Cas no 779985-24-9 (1,3-Benzenediamine,5-methyl-4-phenoxy-(9CI))
779985-24-9 structure
Product Name:1,3-Benzenediamine,5-methyl-4-phenoxy-(9CI)
CAS No:779985-24-9
MF:C13H14N2O
MW:214.263062953949
CID:553542
Update Time:2023-03-29
1,3-Benzenediamine,5-methyl-4-phenoxy-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenediamine,5-methyl-4-phenoxy-
- 1,3-Benzenediamine,5-methyl-4-phenoxy-(9CI)
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- Inchi： 1S/C13H14N2O/c1-9-7-10(14)8-12(15)13(9)16-11-5-3-2-4-6-11/h2-8H,14-15H2,1H3
- InChI Key： SPUGPCQEHVLECT-UHFFFAOYSA-N
- SMILES： C1(N)=CC(C)=C(OC2=CC=CC=C2)C(N)=C1
Computed Properties
- Exact Mass: 214.111
- Monoisotopic Mass: 214.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 216
- 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: 61.3A^2
1,3-Benzenediamine,5-methyl-4-phenoxy-(9CI) Related Literature
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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