| CAS Number | 133228-94-1 |
| Catalog Number | AG019XZZ |
| Chemical Name | 1-(methylamino)-3-(4-nitrophenoxy)propan-2-ol |
| IUPAC Name | 1-(methylamino)-3-(4-nitrophenoxy)propan-2-ol |
| InChI | InChI=1S/C10H14N2O4/c1-11-6-9(13)7-16-10-4-2-8(3-5-10)12(14)15/h2-5,9,11,13H,6-7H2,1H3 |
| InChI Key | VXKBHPFLIUMGNB-UHFFFAOYSA-N |
| MDL Number | MFCD11135129 |
| Molecular Formula | C10H14N2O4 |
| Molecular Weight | 226.2292 |
| SMILES | CNCC(COC1=CC=C([N+]([O-])=O)C=C1)O |
| Synonyms | [2-hydroxy-3-(4-nitrophenoxy)propyl](methyl)amine,
133228-94-1,
2-Propanol, 1-(methylamino)-3-(4-nitrophenoxy)-,
AC1Q4133,
AKOS000216780,
AKOS022486666,
NE58854,
EN300-56526,
1-(methylamino)-3-(4-nitrophenoxy)propan-2-ol,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.232g/mol |
| Monoisotopic Mass | 226.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number