| CAS Number | 1269394-08-2 |
| Catalog Number | AG00J1PJ |
| Chemical Name | [2-methoxy-1-(2-pyridinyl)ethyl]amine dihydrochloride |
| IUPAC Name | 2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride |
| InChI | InChI=1S/C8H12N2O.2ClH/c1-11-6-7(9)8-4-2-3-5-10-8;;/h2-5,7H,6,9H2,1H3;2*1H |
| InChI Key | CTPFUCMNHWDGER-UHFFFAOYSA-N |
| MDL Number | MFCD09864438 |
| Molecular Formula | C8H14Cl2N2O |
| Molecular Weight | 225.1156 |
| SMILES | N1C=CC=CC=1C(COC)N.Cl.Cl |
| Synonyms | [2-Methoxy-1-(2-pyridinyl)ethyl]amine dihydrochloride,
1269394-08-2,
ZX-CM005599,
MFCD09864438,
MCULE-9954032141,
[2-Methoxy-1-(2-pyridinyl)ethyl]amine dihydrochloride, AldrichCPR,
1177274-07-5,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.113g/mol |
| Monoisotopic Mass | 224.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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