| CAS Number | 1803609-11-1 |
| Catalog Number | AG00ANN2(AGN-PC-0WB63A) |
| Chemical Name | C-(1-Methyl-azetidin-3-yl)-methylamine dihydrochloride |
| IUPAC Name | (1-methylazetidin-3-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C5H12N2.2ClH/c1-7-3-5(2-6)4-7;;/h5H,2-4,6H2,1H3;2*1H |
| InChI Key | NBQYUOHFMJTYQY-UHFFFAOYSA-N |
| MDL Number | MFCD28125097 |
| Molecular Formula | C5H14Cl2N2 |
| Molecular Weight | 173.0841 |
| SMILES | NCC1CN(C)C1.[H]Cl.[H]Cl |
| Synonyms | 1803609-11-1,
C-(1-Methyl-azetidin-3-yl)-methylamine dihydrochloride,
(1-methylazetidin-3-yl)methanamine dihydrochloride,
1-(1-methylazetidin-3-yl)methanamine dihydrochloride,
SCHEMBL4641074,
MFCD28125097,
AKOS026741949,
NE63649,
[(1-Methyl-3-azetidinyl)methyl]amine dihydrochloride,
1-(4-bromobenzyl)piperidine hydrochloride,
N/A,
|
| Complexity | 57.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.081g/mol |
| Monoisotopic Mass | 172.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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