| CAS Number | 1559059-73-2 |
| Catalog Number | AG00J2Z6(AGN-PC-0WB6CB) |
| Chemical Name | {2-[3-(2-Methylphenyl)-1-pyrrolidinyl]ethyl}amine dihydrochloride |
| IUPAC Name | 2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethanamine;dihydrochloride |
| InChI | InChI=1S/C13H20N2.2ClH/c1-11-4-2-3-5-13(11)12-6-8-15(10-12)9-7-14;;/h2-5,12H,6-10,14H2,1H3;2*1H |
| InChI Key | NKASEGJQKONAQE-UHFFFAOYSA-N |
| MDL Number | MFCD27966297 |
| Molecular Formula | C13H22Cl2N2 |
| Molecular Weight | 277.2332 |
| SMILES | C1(CCN(CCN)C1)C1C=CC=CC=1C.Cl.Cl |
| Synonyms | 1559059-73-2,
{2-[3-(2-methylphenyl)-1-pyrrolidinyl]ethyl}amine dihydrochloride,
ZX-CM010942,
MFCD27966297,
AKOS027426453,
A-6877,
2-(3-(o-Tolyl)pyrrolidin-1-yl)ethanamine dihydrochloride,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.233g/mol |
| Monoisotopic Mass | 276.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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