| CAS Number | 1049791-53-8 |
| Catalog Number | AG019JIC |
| Chemical Name | [(3,4-diethoxyphenyl)methyl][3-(dimethylamino)propyl]amine dihydrochloride |
| IUPAC Name | N-[(3,4-diethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride |
| InChI | InChI=1S/C16H28N2O2.2ClH/c1-5-19-15-9-8-14(12-16(15)20-6-2)13-17-10-7-11-18(3)4;;/h8-9,12,17H,5-7,10-11,13H2,1-4H3;2*1H |
| InChI Key | NEYBSINWHGQJLI-UHFFFAOYSA-N |
| MDL Number | MFCD07109569 |
| Molecular Formula | C16H30Cl2N2O2 |
| Molecular Weight | 353.3276 |
| SMILES | Cl.Cl.CCOC1=C(OCC)C=C(CNCCCN(C)C)C=C1 |
| Synonyms | [(3,4-diethoxyphenyl)methyl][3-(dimethylamino)propyl]amine dihydrochloride,
1049791-53-8,
N'-(3,4-diethoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride,
AC1Q3AB0,
CTK6G1255,
MCULE-6548043456,
NE34610,
EN300-09519,
Z56983150,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.328g/mol |
| Monoisotopic Mass | 352.168g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 33.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number