| CAS Number | 21581-49-7 |
| Catalog Number | AG0070LX(AGN-PC-0ND1UW) |
| Chemical Name | 1,2-Benzenediol, 4-(2-aminoethyl)-5-nitro- |
| 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 |
| MDL Number | MFCD30725484 |
| Molecular Formula | C8H10N2O4 |
| Molecular Weight | 198.1760 |
| SMILES | O=N(=O)C1=CC(O)=C(O)C=C1CCN |
| Synonyms | 6-nitrodopamine,
1,2-Benzenediol, 4-(2-aminoethyl)-5-nitro-,
6-nitrodopamine,
21581-49-7,
6-Nitro dopamine,
CHEMBL40212,
SCHEMBL1278365,
CTK0J7341,
DTXSID20448788,
CHEBI:125478,
GAWRYVJRKWPEFX-UHFFFAOYSA-N,
AKOS030255118,
BRD-K08227907-001-01-8,
CID10932412,
4-(2-aminoethyl)-5-nitro-benzene-1,2-diol,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number