| CAS Number | 1951441-46-5 |
| Catalog Number | AG00I39F(AGN-PC-0WG3FN) |
| Chemical Name | benzyl N-(3-methylazetidin-3-yl)carbamate hydrochloride |
| IUPAC Name | benzyl N-(3-methylazetidin-3-yl)carbamate;hydrochloride |
| InChI | InChI=1S/C12H16N2O2.ClH/c1-12(8-13-9-12)14-11(15)16-7-10-5-3-2-4-6-10;/h2-6,13H,7-9H2,1H3,(H,14,15);1H |
| InChI Key | BXXFHLZHHOVVDM-UHFFFAOYSA-N |
| MDL Number | MFCD27997413 |
| Molecular Formula | C12H17ClN2O2 |
| Molecular Weight | 256.7286 |
| SMILES | Cl.CC1(CNC1)NC(OCC1=CC=CC=C1)=O |
| Synonyms | 1951441-46-5,
BENZYL (3-METHYLAZETIDIN-3-YL)CARBAMATE HCL,
Benzyl (3-methylazetidin-3-yl)carbamate hydrochloride,
benzyl N-(3-methylazetidin-3-yl)carbamate hydrochloride,
MFCD27997413,
AS-39849,
CS-0049814,
benzyl N-(3-methylazetidin-3-yl)carbamate;hydrochloride,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.73g/mol |
| Monoisotopic Mass | 256.098g/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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