| CAS Number | 884501-98-8 |
| Catalog Number | AG00IF3J(AGN-PC-02MWO0) |
| Chemical Name | N-[(2-Nitrophenyl)methyl]cyclopropanamine |
| IUPAC Name | N-[(2-nitrophenyl)methyl]cyclopropanamine |
| InChI | InChI=1S/C10H12N2O2/c13-12(14)10-4-2-1-3-8(10)7-11-9-5-6-9/h1-4,9,11H,5-7H2 |
| InChI Key | YEKQXQGNWNIMBG-UHFFFAOYSA-N |
| MDL Number | MFCD09812611 |
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.2145 |
| SMILES | [O-][N+](C1=C(CNC2CC2)C=CC=C1)=O |
| Synonyms | N-[(2-NITROPHENYL)METHYL]CYCLOPROPANAMINE,
884501-98-8,
CTK5I3918,
ZINC19398977,
AKOS000163074,
MCULE-1593537818,
NE35841,
cyclopropyl[(2-nitrophenyl)methyl]amine,
ST096345,
Benzenemethanamine, N-cyclopropyl-2-nitro-,
A1-05279,
Z90517841,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.218g/mol |
| Monoisotopic Mass | 192.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number