| CAS Number | 129655-57-8 |
| Catalog Number | AG000Z8W(AGN-PC-00OHM9) |
| Chemical Name | 2-Propanol, 2-methyl-1-[(3-nitro-4-quinolinyl)amino]- |
| IUPAC Name | 2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol |
| InChI | InChI=1S/C13H15N3O3/c1-13(2,17)8-15-12-9-5-3-4-6-10(9)14-7-11(12)16(18)19/h3-7,17H,8H2,1-2H3,(H,14,15) |
| InChI Key | UUIJTARFZIWNCK-UHFFFAOYSA-N |
| MDL Number | MFCD22044569 |
| Molecular Formula | C13H15N3O3 |
| Molecular Weight | 261.2765 |
| SMILES | CC(O)(C)CNC1=C([N+]([O-])=O)C=NC2=CC=CC=C12 |
| Synonyms | 129655-57-8,
2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol,
2-Propanol, 2-methyl-1-[(3-nitro-4-quinolinyl)amino]-,
2-Methyl-1-((3-nitroquinolin-4-yl)amino)propan-2-ol,
ACMC-20mtbl,
SCHEMBL1490855,
CTK0F5943,
DTXSID10553310,
UUIJTARFZIWNCK-UHFFFAOYSA-N,
4-(2-hydroxy-2-methylpropylamino)3-nitroquinoline,
4-(2-hydroxy-2-methylpropylamino)-3-nitroquinoline,
2-methyl-1-[(3-nitro-4-quinolinyl)amino]-2-propanol,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.281g/mol |
| Monoisotopic Mass | 261.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number