| CAS Number | 138356-09-9 |
| Catalog Number | AG0018MJ(AGN-PC-07A7QC) |
| Chemical Name | N-[2-(3,4-Dichlorophenyl)ethyl]-N-methyl-1-pyrrolidineethanamine dihydrobromide |
| IUPAC Name | 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine;dihydrobromide |
| InChI | InChI=1S/C15H22Cl2N2.2BrH/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13;;/h4-5,12H,2-3,6-11H2,1H3;2*1H |
| InChI Key | YTBUMHOSKIAYCZ-UHFFFAOYSA-N |
| MDL Number | MFCD00209903 |
| Molecular Formula | C15H24Br2Cl2N2 |
| Molecular Weight | 463.0785 |
| SMILES | CN(CCC2=CC=C(Cl)C(Cl)=C2)CCN1CCCC1.[H]Br.[H]Br |
| Synonyms | BD 1008 DIHYDROBROMIDE,
138356-09-9,
N-[2-(3,4-Dichlorophenyl)ethyl]-N-methyl-2-(1-pyrrolidinyl)ethylamine dihydrobromide,
SCHEMBL467371,
CTK8E8402,
AKOS024458498,
RT-011431,
B6330,
FT-0662504,
SR-01000597939,
J-007122,
SR-01000597939-1,
1-Pyrrolidineethanamine, N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-, hydrobromide (1:2),
N-(3,4-dichlorophenethyl)-N-methyl-2-(pyrrolidin-1-yl)ethanamine dihydrobromide,
BD 1008,
138356-08-8,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 461.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 463.079g/mol |
| Monoisotopic Mass | 459.968g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 6.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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