| CAS Number | 1158745-18-6 |
| Catalog Number | AG01A7MW |
| Chemical Name | [(3-nitrophenyl)methyl](prop-2-en-1-yl)amine hydrochloride |
| IUPAC Name | N-[(3-nitrophenyl)methyl]prop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C10H12N2O2.ClH/c1-2-6-11-8-9-4-3-5-10(7-9)12(13)14;/h2-5,7,11H,1,6,8H2;1H |
| InChI Key | CMBVZGYCHFHEEF-UHFFFAOYSA-N |
| MDL Number | MFCD07110321 |
| Molecular Formula | C10H13ClN2O2 |
| Molecular Weight | 228.6754 |
| SMILES | Cl.[O-][N+](C1=CC(CNCC=C)=CC=C1)=O |
| Synonyms | [(3-nitrophenyl)methyl](prop-2-en-1-yl)amine hydrochloride,
1158745-18-6,
EN300-59194,
AC1Q38JO,
AKOS008045535,
MCULE-5266794876,
NE38894,
Z1262237160,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.676g/mol |
| Monoisotopic Mass | 228.067g/mol |
| Rotatable Bond Count | 4 |
| 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