| CAS Number | 1048640-57-8 |
| Catalog Number | AG00J3T3 |
| Chemical Name | N-(2,4-Dichlorobenzyl)-1-phenylethanamine hydrochloride |
| IUPAC Name | N-[(2,4-dichlorophenyl)methyl]-1-phenylethanamine;hydrochloride |
| InChI | InChI=1S/C15H15Cl2N.ClH/c1-11(12-5-3-2-4-6-12)18-10-13-7-8-14(16)9-15(13)17;/h2-9,11,18H,10H2,1H3;1H |
| InChI Key | RPPMWXMWVIFOBC-UHFFFAOYSA-N |
| MDL Number | MFCD03930947 |
| Molecular Formula | C15H16Cl3N |
| Molecular Weight | 316.6532 |
| SMILES | C1(Cl)=CC(Cl)=CC=C1CNC(C)C1=CC=CC=C1.Cl |
| Synonyms | N-(2,4-Dichlorobenzyl)-1-phenylethanamine hydrochloride,
1048640-57-8,
ARONIS004997,
KS-00003XMZ,
ZX-CM016869,
MFCD03930947,
AKOS003752115,
ST45041778,
[(2,4-dichlorophenyl)methyl](phenylethyl)amine, chloride,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.65g/mol |
| Monoisotopic Mass | 315.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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