| CAS Number | 21078-48-8 |
| Catalog Number | AG019W8M(AGN-PC-0WCX0D) |
| Chemical Name | (4-Methoxy-3-nitrophenyl)methanamine hydrochloride |
| IUPAC Name | (4-methoxy-3-nitrophenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H10N2O3.ClH/c1-13-8-3-2-6(5-9)4-7(8)10(11)12;/h2-4H,5,9H2,1H3;1H |
| InChI Key | XXZJZOZQGZVIHJ-UHFFFAOYSA-N |
| MDL Number | MFCD12912915 |
| Molecular Formula | C8H11ClN2O3 |
| Molecular Weight | 218.6375 |
| SMILES | Cl.COC1=C([N+]([O-])=O)C=C(CN)C=C1 |
| Synonyms | (4-methoxy-3-nitrophenyl)methanamine hydrochloride,
21078-48-8,
AC1Q3BYT,
SCHEMBL11873461,
CTK7A5547,
AKOS016904774,
MCULE-4243328706,
4-Methoxy-3-nitrobenzylamine hydrochloride,
4-Methoxy-3-nitro-benzylamine hydrochloride,
EN300-51052,
A1-04455,
Z752371132,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.637g/mol |
| Monoisotopic Mass | 218.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number