| CAS Number | 1236862-17-1 |
| Catalog Number | AG00J16R |
| Chemical Name | 3-(2,3-dimethoxyphenyl)pyrrolidine hydrochloride |
| IUPAC Name | 3-(2,3-dimethoxyphenyl)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-14-11-5-3-4-10(12(11)15-2)9-6-7-13-8-9;/h3-5,9,13H,6-8H2,1-2H3;1H |
| InChI Key | XNEPIQJPVFXZIK-UHFFFAOYSA-N |
| MDL Number | MFCD26959503 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | C1(OC)C(=CC=CC=1C1CCNC1)OC.Cl |
| Synonyms | 3-(2,3-Dimethoxyphenyl)pyrrolidine hydrochloride,
1236862-17-1,
ZX-CM003155,
MFCD26959503,
|
| Complexity | 198 |
| 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 | 3 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number