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Home Aminos 1,2-Benzenediol, 4-(2-aminoethyl)-5-nitro-

1,2-Benzenediol, 4-(2-aminoethyl)-5-nitro-

CAS No.:
21581-49-7
Catalog Number:
AG0070LX
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
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Product Description
Catalog Number:
AG0070LX
Chemical Name:
1,2-Benzenediol, 4-(2-aminoethyl)-5-nitro-
CAS Number:
21581-49-7
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
MDL Number:
MFCD30725484
IUPAC Name:
4-(2-aminoethyl)-5-nitrobenzene-1,2-diol
InChI:
InChI=1S/C8H10N2O4/c9-2-1-5-3-7(11)8(12)4-6(5)10(13)14/h3-4,11-12H,1-2,9H2
InChI Key:
GAWRYVJRKWPEFX-UHFFFAOYSA-N
SMILES:
NCCc1cc(O)c(cc1[N+](=O)[O-])O
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Bioinspired underwater bonding and debonding on demand. Angewandte Chemie (International ed. in English) 20120427
Sensitive electrochemical immunosensor for cancer biomarker with signal enhancement based on nitrodopamine-functionalized iron oxide nanoparticles. Biosensors & bioelectronics 20110215
Therapeutic effects of hydrogen in animal models of Parkinson's disease. Parkinson's disease 20110101
Nitrocatechols versus nitrocatecholamines as novel competitive inhibitors of neuronal nitric oxide synthase: lack of the aminoethyl side chain determines loss of tetrahydrobiopterin-antagonizing properties. Bioorganic & medicinal chemistry letters 20020107
Oxidative conversion of 6-nitrocatecholamines to nitrosating products: a possible contributory factor in nitric oxide and catecholamine neurotoxicity associated with oxidative stress and acidosis. Chemical research in toxicology 20010901
Effect of intracerebral 6-nitronoradrenaline, an endogenous catechol-O-methyltransferase (COMT) inhibitor, on striatal dopamine metabolism in anaesthetised rats. Journal of neuroscience methods 20010815
Inhibition of neuronal nitric oxide synthase by 6-nitrocatecholamines, putative reaction products of nitric oxide with catecholamines under oxidative stress conditions. The Biochemical journal 20010515
Properties