| CAS Number | 90389-71-2 |
| Catalog Number | AG00GUAY(AGN-PC-0VQHZ9) |
| Chemical Name | N-(3-Nitrobenzyl)ethanamine hydrochloride |
| IUPAC Name | N-[(3-nitrophenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12N2O2.ClH/c1-2-10-7-8-4-3-5-9(6-8)11(12)13;/h3-6,10H,2,7H2,1H3;1H |
| InChI Key | IPELTCBRKZZTTK-UHFFFAOYSA-N |
| MDL Number | MFCD07110182 |
| Molecular Formula | C9H13ClN2O2 |
| Molecular Weight | 216.6647 |
| SMILES | Cl.CCNCC1=CC([N+]([O-])=O)=CC=C1 |
| Synonyms | N-(3-nitrobenzyl)ethanamine hydrochloride,
90389-71-2,
Ethyl-(3-nitro-benzyl)-amine HCl,
ethyl[(3-nitrophenyl)methyl]amine hydrochloride,
AC1Q39VH,
Ethyl-(3-nitro-benzyl)-aMine HYDROCHLORIDE Salt,
CHEMBL13654,
SCHEMBL952234,
CTK6F2383,
CS-D0538,
MFCD07110182,
AKOS030524947,
MCULE-1432226795,
AS-40801,
EN300-36753,
Ethyl-(3-nitro-benzyl)-aMine HYDROCHLORIDE,
Z381061424,
|
| 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