Cas no 819850-22-1 (1,3-Benzenediol, 4-(4-aminophenoxy)- (9CI))
819850-22-1 structure
Product Name:1,3-Benzenediol, 4-(4-aminophenoxy)- (9CI)
CAS No:819850-22-1
MF:C12H11NO3
MW:217.220643281937
CID:715690
Update Time:2024-02-04
1,3-Benzenediol, 4-(4-aminophenoxy)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenediol, 4-(4-aminophenoxy)- (9CI)
- 4-(4-aminophenoxy)benzene-1,3-diol
- 1,3-Benzenediol, 4-(4-aminophenoxy)-
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- Inchi： 1S/C12H11NO3/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,14-15H,13H2
- InChI Key： ALPMNMZRETZIRZ-UHFFFAOYSA-N
- SMILES： C1(O)=CC=C(OC2=CC=C(N)C=C2)C(O)=C1
Computed Properties
- Exact Mass: 217.074
- Monoisotopic Mass: 217.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- 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: 75.7A^2
Experimental Properties
- Density: 1.364±0.06 g/cm3(Predicted)
- Boiling Point: 437.8±28.0 °C(Predicted)
- pka: 9.32±0.35(Predicted)
1,3-Benzenediol, 4-(4-aminophenoxy)- (9CI) Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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