| CAS Number | 116939-14-1 |
| Catalog Number | AG008VSJ(AGN-PC-0NZ55U) |
| Chemical Name | methyl[(2E)-3-phenylprop-2-en-1-yl]amine hydrochloride |
| IUPAC Name | (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C10H13N.ClH/c1-11-9-5-8-10-6-3-2-4-7-10;/h2-8,11H,9H2,1H3;1H/b8-5+; |
| InChI Key | XGJZECMFJCEEJU-HAAWTFQLSA-N |
| MDL Number | MFCD07106787 |
| Molecular Formula | C10H14ClN |
| Molecular Weight | 183.6779 |
| SMILES | CNC/C=C/C1=CC=CC=C1.Cl |
| Synonyms | 116939-14-1,
(E)-N-Methylcinnamylamine Hydrochloride Salt,
SCHEMBL9454161,
SCHEMBL9454170,
DTXSID90589490,
(E)-N-Methyl-3-phenyl-2-propen-1-amine Hydrochloride Salt,
(2E)-N-Methyl-3-phenyl-2-propen-1-amine Hydrochloride Salt,
(2E)-N-Methyl-3-phenylprop-2-en-1-amine--hydrogen chloride (1/1),
XGJZECMFJCEEJU-HAAWTFQLSA-N,
(E)-N-Methylcinnamylamine Hydrochloride,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 183.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.679g/mol |
| Monoisotopic Mass | 183.081g/mol |
| Rotatable Bond Count | 3 |
| 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