| CAS Number | 1951444-30-6 |
| Catalog Number | AG00I3B6(AGN-PC-0WR2D9) |
| Chemical Name | cis-benzyl (2-methylpyrrolidin-3-yl)carbamate hcl |
| IUPAC Name | benzyl N-[(2R,3R)-2-methylpyrrolidin-3-yl]carbamate;hydrochloride |
| InChI | InChI=1S/C13H18N2O2.ClH/c1-10-12(7-8-14-10)15-13(16)17-9-11-5-3-2-4-6-11;/h2-6,10,12,14H,7-9H2,1H3,(H,15,16);1H/t10-,12-;/m1./s1 |
| InChI Key | JQNITJGVVYICOV-MHDYBILJSA-N |
| MDL Number | MFCD27997402 |
| Molecular Formula | C13H19ClN2O2 |
| Molecular Weight | 270.7552 |
| SMILES | C[C@H]1NCC[C@H]1NC(=O)OCc1ccccc1.Cl |
| Synonyms | CIS-BENZYL (2-METHYLPYRROLIDIN-3-YL)CARBAMATE HCL,
1951444-30-6,
Benzyl (cis-2-methylpyrrolidin-3-yl)carbamate hydrochloride,
MFCD27997402,
AS-39845,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.757g/mol |
| Monoisotopic Mass | 270.114g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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