| CAS Number | 1803604-79-6 |
| Catalog Number | AG01B92M |
| Chemical Name | methyl[2-(3-nitrophenyl)ethyl]amine hydrochloride |
| IUPAC Name | N-methyl-2-(3-nitrophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12N2O2.ClH/c1-10-6-5-8-3-2-4-9(7-8)11(12)13;/h2-4,7,10H,5-6H2,1H3;1H |
| InChI Key | HIZSUHLIONMRBV-UHFFFAOYSA-N |
| MDL Number | MFCD28348226 |
| Molecular Formula | C9H13ClN2O2 |
| Molecular Weight | 216.6647 |
| SMILES | Cl.CNCCC1=CC([N+]([O-])=O)=CC=C1 |
| Synonyms | methyl[2-(3-nitrophenyl)ethyl]amine hydrochloride,
1803604-79-6,
SCHEMBL1646313,
AKOS030757084,
Z2028214411,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.665g/mol |
| Monoisotopic Mass | 216.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number