| CAS Number | 664972-87-6 |
| Catalog Number | AG00J2N5(AGN-PC-0WB61Z) |
| Chemical Name | 2-Methyl-2-((3-nitropyridin-2-yl)amino)propan-1-ol |
| IUPAC Name | 2-methyl-2-[(3-nitropyridin-2-yl)amino]propan-1-ol |
| InChI | InChI=1S/C9H13N3O3/c1-9(2,6-13)11-8-7(12(14)15)4-3-5-10-8/h3-5,13H,6H2,1-2H3,(H,10,11) |
| InChI Key | SMQDTERAAKSETI-UHFFFAOYSA-N |
| MDL Number | MFCD00848081 |
| Molecular Formula | C9H13N3O3 |
| Molecular Weight | 211.2178 |
| SMILES | [N+](=O)([O-])C1=CC=CN=C1NC(C)(C)CO |
| Synonyms | 664972-87-6,
2-Methyl-2-((3-nitropyridin-2-yl)amino)propan-1-ol,
2-Methyl-2-[(3-nitro-2-pyridinyl)amino]-1-propanol,
2-methyl-2-[(3-nitropyridin-2-yl)amino]propan-1-ol,
MFCD00848081,
ZINC20324460,
AKOS009019168,
MCULE-6769144646,
AK-079/11126008,
2-({3-nitro-2-pyridinyl}amino)-2-methyl-1-propanol,
Z94804895,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.221g/mol |
| Monoisotopic Mass | 211.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number