| CAS Number | 1159698-11-9 |
| Catalog Number | AG00J40R(AGN-PC-0WRB0I) |
| Chemical Name | (2E)-N-butyl-3-phenyl-2-propen-1-amine hydrochloride |
| IUPAC Name | N-[(E)-3-phenylprop-2-enyl]butan-1-amine;hydrochloride |
| InChI | InChI=1S/C13H19N.ClH/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13;/h4-10,14H,2-3,11-12H2,1H3;1H/b10-7+; |
| InChI Key | NXHIUKVYXINEMD-HCUGZAAXSA-N |
| MDL Number | MFCD07105439 |
| Molecular Formula | C13H20ClN |
| Molecular Weight | 225.7576 |
| SMILES | C(/C1=CC=CC=C1)=CCNCCCC.Cl |
| Synonyms | (2E)-N-Butyl-3-phenyl-2-propen-1-amine hydrochloride,
1159698-11-9,
ZX-CM018129,
MFCD07105439,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 225.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.76g/mol |
| Monoisotopic Mass | 225.128g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number