| CAS Number | 59117-67-8 |
| Catalog Number | AG019XKX |
| Chemical Name | 1-amino-3-(4-nitrophenoxy)propan-2-ol hydrochloride |
| IUPAC Name | 1-amino-3-(4-nitrophenoxy)propan-2-ol;hydrochloride |
| InChI | InChI=1S/C9H12N2O4.ClH/c10-5-8(12)6-15-9-3-1-7(2-4-9)11(13)14;/h1-4,8,12H,5-6,10H2;1H |
| InChI Key | NETJZMHBDMYMOS-UHFFFAOYSA-N |
| MDL Number | MFCD13196204 |
| Molecular Formula | C9H13ClN2O4 |
| Molecular Weight | 248.6635 |
| SMILES | Cl.NCC(COC1=CC=C([N+]([O-])=O)C=C1)O |
| Synonyms | 1-amino-3-(4-nitrophenoxy)propan-2-ol hydrochloride,
59117-67-8,
AC1Q3D5E,
SCHEMBL11663123,
CTK7E3304,
AKOS008099112,
MCULE-9723573604,
NE49995,
EN300-55286,
Z1259341059,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.663g/mol |
| Monoisotopic Mass | 248.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number