| CAS Number | 1376321-05-9 |
| Catalog Number | AG019U4E |
| Chemical Name | 3-[(3,5-dimethoxyphenyl)methyl]azetidine hydrochloride |
| IUPAC Name | 3-[(3,5-dimethoxyphenyl)methyl]azetidine;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-14-11-4-9(3-10-7-13-8-10)5-12(6-11)15-2;/h4-6,10,13H,3,7-8H2,1-2H3;1H |
| InChI Key | YFDVQUDDPYSADO-UHFFFAOYSA-N |
| MDL Number | MFCD22056347 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.COC1=CC(OC)=CC(CC2CNC2)=C1 |
| Synonyms | 3-[(3,5-dimethoxyphenyl)methyl]azetidine hydrochloride,
1376321-05-9,
MCULE-8196878141,
NE33679,
Z1342208379,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number