| CAS Number | 138133-58-1 |
| Catalog Number | AG019U2M(AGN-PC-0PM8QY) |
| Chemical Name | 1-(3-nitrophenyl)propan-1-amine |
| IUPAC Name | 1-(3-nitrophenyl)propan-1-amine |
| InChI | InChI=1S/C9H12N2O2/c1-2-9(10)7-4-3-5-8(6-7)11(12)13/h3-6,9H,2,10H2,1H3 |
| InChI Key | ONWQSIRAWSRGBH-UHFFFAOYSA-N |
| MDL Number | MFCD11132499 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | CCC(C1=CC([N+]([O-])=O)=CC=C1)N |
| Synonyms | 1-(3-nitrophenyl)propan-1-amine,
138133-58-1,
(1R)-1-(3-nitrophenyl)propan-1-amine,
(1S)-1-(3-nitrophenyl)propan-1-amine,
1228569-65-0,
874098-11-0,
SCHEMBL16809247,
AKOS009112380,
MCULE-1884421079,
NE25664,
Z228582830,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number