| CAS Number | 5454-35-3 |
| Catalog Number | AG019VBW(AGN-PC-05ST52) |
| Chemical Name | 1,3-Diphenylpropan-1-amine hydrochloride |
| IUPAC Name | 1,3-diphenylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C15H17N.ClH/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;/h1-10,15H,11-12,16H2;1H |
| InChI Key | MTYYXUIJVCIFHK-UHFFFAOYSA-N |
| MDL Number | MFCD12197109 |
| Molecular Formula | C15H18ClN |
| Molecular Weight | 247.7631 |
| NSC Number | 23036 |
| SMILES | NC(C1=CC=CC=C1)CCC2=CC=CC=C2.[H]Cl |
| Synonyms | 1,3-diphenylpropan-1-amine hydrochloride,
5454-35-3,
AC1Q3CVB,
alpha-Phenethylbenzylamine,
AC1L9YE9,
SCHEMBL9635016,
CTK7D4685,
NSC23036,
NSC-23036,
MCULE-5438819883,
NE29310,
EN300-44836,
F2167-1909,
Z540728426,
1,3-diphenylpropan-1-amine,
AIDS018569,
CID458435,
1,3-diphenylpropan-1-amine;hydrochloride,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.766g/mol |
| Monoisotopic Mass | 247.113g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number