| CAS Number | 1311315-51-1 |
| Catalog Number | AG01AJ23 |
| Chemical Name | 4-(4-nitrophenyl)butan-1-amine hydrochloride |
| IUPAC Name | 4-(4-nitrophenyl)butan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H14N2O2.ClH/c11-8-2-1-3-9-4-6-10(7-5-9)12(13)14;/h4-7H,1-3,8,11H2;1H |
| InChI Key | ARIUQYXOFYFANT-UHFFFAOYSA-N |
| MDL Number | MFCD18917430 |
| Molecular Formula | C10H15ClN2O2 |
| Molecular Weight | 230.6913 |
| SMILES | Cl.NCCCCC1=CC=C([N+]([O-])=O)C=C1 |
| Synonyms | 4-(4-nitrophenyl)butan-1-amine hydrochloride,
1311315-51-1,
SCHEMBL17260639,
AKOS033199744,
MCULE-6274624837,
NE40248,
EN300-79586,
Z1259297358,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.692g/mol |
| Monoisotopic Mass | 230.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number