| CAS Number | 79556-69-7 |
| Catalog Number | AG00G74H(AGN-PC-039EOB) |
| Chemical Name | 4-AMINO-3-NITROBENZYLAMINE Hydrochloride |
| IUPAC Name | 4-(aminomethyl)-2-nitroaniline |
| InChI | InChI=1S/C7H9N3O2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,4,8-9H2 |
| InChI Key | VYPGEDMAENMAAQ-UHFFFAOYSA-N |
| MDL Number | MFCD06797909 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| SMILES | NCC1=CC(=C(N)C=C1)[N+](=O)[O-] |
| Synonyms | 4-(Aminomethyl)-2-nitroaniline,
79556-69-7,
1-amino-2-nitro-4-aminomethylbenzene,
4-Amino-3-nitrobenzylamine,
SCHEMBL11079242,
VYPGEDMAENMAAQ-UHFFFAOYSA-N,
ZINC15446049,
AKOS006279459,
4-Aminomethyl-2-nitro-phenylamine,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.168g/mol |
| Monoisotopic Mass | 167.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number