| CAS Number | 1158452-11-9 |
| Catalog Number | AG00946K(AGN-PC-0WAEA7) |
| Chemical Name | N-(4-Nitrobenzyl)ethanaMine HCl |
| IUPAC Name | N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12N2O2.ClH/c1-2-10-7-8-3-5-9(6-4-8)11(12)13;/h3-6,10H,2,7H2,1H3;1H |
| InChI Key | AOFIPYOEICEMFY-UHFFFAOYSA-N |
| MDL Number | MFCD07109772 |
| Molecular Formula | C9H13ClN2O2 |
| Molecular Weight | 216.6647 |
| SMILES | CCNCc1ccc(cc1)[N+](=O)[O-].Cl |
| Synonyms | N-(4-Nitrobenzyl)ethanamine HCl,
1158452-11-9,
SCHEMBL8365207,
Z7734,
K-1109,
ETHYL[(4-NITROPHENYL)METHYL]AMINE HYDROCHLORIDE,
C9H12N2O2.HCl,
|
| Complexity | 160 |
| 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
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Certificate of Analysis
Lot Number