Cas no 117001-65-7 (Benzenediol, amino-(9CI))
Benzenediol, amino-(9CI) structure
Product Name:Benzenediol, amino-(9CI)
CAS No:117001-65-7
MF:C6H7NO2
MW:125.125281572342
CID:219869
PubChem ID:189460
Update Time:2025-04-19
Benzenediol, amino-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenediol, amino-(9CI)
- EN300-1853451
- bis(2-ethylhexyl)hydrogenphosphate
- MGBKJKDRMRAZKC-UHFFFAOYSA-N
- 3-amino-1,2-benzenediol
- PD165944
- SCHEMBL5556
- MFCD14584779
- A879465
- 2,3-Dihydroxyaniline; 3-Aminocatechol; 3-Aminopyrocatechol
- 20734-66-1
- J-511679
- 117001-65-7
- Aminobenzenediol
- Benzenediol, amino-
- Brenzkatechinamine
- 3-Aminobenzene-1 pound not2-diol
- Pyrocatechol, 3-amino-
- 3-aminobenzene-1,2-diol
- AE-0019
- 3-aminobenzene-1,2,-diol
- AKOS005071756
- FT-0681778
- 2,3-dihydroxyaniline
- DTXSID60151663
- Catecholamine
-
- Inchi： 1S/C6H7NO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H,7H2
- InChI Key： MGBKJKDRMRAZKC-UHFFFAOYSA-N
- SMILES： OC1C(=CC=CC=1N)O
Computed Properties
- Exact Mass: 125.04771
- Monoisotopic Mass: 125.047678
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 97.1
- 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: 66.5
- XLogP3: 0.5
Experimental Properties
- Density: 1.412
- Boiling Point: 297°C at 760 mmHg
- Flash Point: 133.4°C
- Refractive Index: 1.7
- PSA: 66.48
Benzenediol, amino-(9CI) Related Literature
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Samudra Amunugama,Eyram Asempa,Ramesh Chandra Tripathi,Dakshika Wanniarachchi,Habib Baydoun,Peter Hoffmann,Elena Jakubikova,Cláudio N. Verani Dalton Trans. 2022 51 8425
-
Mohammad Rafiee,Babak Karimi,Yousef Abdossalami Asl,Hojatollah Vali Analyst 2013 138 1740
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Randy K. Jackson,Yu Shi,Xudong Yao,Shawn C. Burdette Dalton Trans. 2010 39 4155
-
Thilini S. Hollingsworth,Ryan L. Hollingsworth,Richard L. Lord,Stanislav Groysman Dalton Trans. 2018 47 10017
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Xiaolei Teng,Junfeng Li,Zhaoyang Wang,Zhen Wei,Cuizhong Chen,Keqing Du,Chun Zhao,Guang Yang,Yun Li RSC Adv. 2020 10 24712
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