| CAS Number | 1803582-22-0 |
| Catalog Number | AG01AF7J |
| Chemical Name | (1-benzyl-3-methylazetidin-3-yl)methanamine dihydrochloride |
| IUPAC Name | (1-benzyl-3-methylazetidin-3-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C12H18N2.2ClH/c1-12(8-13)9-14(10-12)7-11-5-3-2-4-6-11;;/h2-6H,7-10,13H2,1H3;2*1H |
| InChI Key | UYPFDOONIBPGNF-UHFFFAOYSA-N |
| MDL Number | MFCD27500749 |
| Molecular Formula | C12H20Cl2N2 |
| Molecular Weight | 263.2066 |
| SMILES | Cl.Cl.CC1(CN(CC2=CC=CC=C2)C1)CN |
| Synonyms | 1803582-22-0,
(1-benzyl-3-methylazetidin-3-yl)methanamine dihydrochloride,
1-(1-benzyl-3-methylazetidin-3-yl)methanamine dihydrochloride,
AKOS033565336,
NE56719,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.206g/mol |
| Monoisotopic Mass | 262.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number