Cas no 50673-96-6 (3,5-Cyclohexadiene-1,2-dione,4-(2-aminoethyl)-)
50673-96-6 structure
Product Name:3,5-Cyclohexadiene-1,2-dione,4-(2-aminoethyl)-
CAS No:50673-96-6
MF:C8H9NO2
MW:151.162562131882
CID:377561
PubChem ID:162602
Update Time:2025-04-19
3,5-Cyclohexadiene-1,2-dione,4-(2-aminoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Cyclohexadiene-1,2-dione,4-(2-aminoethyl)-
- 4-(2-aminoethyl)cyclohexa-3,5-diene-1,2-dione
- dopamine quinone
- 4-(2-Aminoethyl)-3,5-cyclohexadiene-1,2-dione
- DOQ
- SCHEMBL12023988
- 4-(2-Azanylethyl)cyclohexa-3,5-diene-1,2-dione
- 3,5-Cyclohexadiene-1,2-dione, 4-(2-aminoethyl)-
- 50673-96-6
- DTXSID20198716
- Dopamine O-quinone
- Dopaminoquinone
- Q27144822
- 4-(2-Aminoethyl)-O-benzoquinone
- CF3WT5K23D
- C17755
- 4-(2-Aminoethyl)-1,2-benzoquinone
- CHEBI:74684
-
- Inchi： 1S/C8H9NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5H,3-4,9H2
- InChI Key： PQPXZWUZIOASKS-UHFFFAOYSA-N
- SMILES： O=C1C(C=CC(=C1)CCN)=O
Computed Properties
- Exact Mass: 151.06337
- Monoisotopic Mass: 151.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 251
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: -0.8
- Topological Polar Surface Area: 60.2A^2
Experimental Properties
- Density: 1.206
- Boiling Point: 296.8°C at 760 mmHg
- Flash Point: 133.3°C
- Refractive Index: 1.551
- PSA: 60.16
3,5-Cyclohexadiene-1,2-dione,4-(2-aminoethyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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