| CAS Number | 92765-43-0 |
| Catalog Number | AG019MMM |
| Chemical Name | ethyl[(2-nitrophenyl)methyl]amine hydrochloride |
| IUPAC Name | N-[(2-nitrophenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12N2O2.ClH/c1-2-10-7-8-5-3-4-6-9(8)11(12)13;/h3-6,10H,2,7H2,1H3;1H |
| InChI Key | LMBSFRUHZXUYJN-UHFFFAOYSA-N |
| MDL Number | MFCD10686927 |
| Molecular Formula | C9H13ClN2O2 |
| Molecular Weight | 216.6647 |
| SMILES | Cl.CCNCC1=C([N+]([O-])=O)C=CC=C1 |
| Synonyms | ethyl[(2-nitrophenyl)methyl]amine hydrochloride,
92765-43-0,
N-(2-nitrobenzyl)ethanamine hydrochloride,
AC1Q39VB,
CTK6F2388,
MCULE-7027231264,
NE60183,
EN300-36630,
Z380844472,
ethyl-(2-nitro-benzyl)-amine, hydrochloride,
|
| 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