| CAS Number | 1179839-12-3 |
| Catalog Number | AG00HECI(AGN-PC-0WAJC6) |
| Chemical Name | methyl (2R)-1-benzyl-2-methylazetidine-2-carboxylate |
| IUPAC Name | methyl (2R)-1-benzyl-2-methylazetidine-2-carboxylate |
| InChI | InChI=1S/C13H17NO2/c1-13(12(15)16-2)8-9-14(13)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3/t13-/m1/s1 |
| InChI Key | QGWMCHHETIEPNT-CYBMUJFWSA-N |
| MDL Number | MFCD28501897 |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.2796 |
| SMILES | COC(=O)[C@@]1(C)CCN1Cc1ccccc1 |
| Synonyms | methyl (2R)-1-benzyl-2-methylazetidine-2-carboxylate,
1179839-12-3,
(R)-Methyl 1-benzyl-2-methylazetidine-2-carboxylate,
SCHEMBL11295999,
QGWMCHHETIEPNT-CYBMUJFWSA-N,
MFCD28501897,
AKOS027253734,
ZINC145214016,
SB15491,
KS-000005X1,
AS-52333,
CS-0049298,
methyl(2R)-1-benzyl-2-methylazetidine-2-carboxylate,
(R)-1-benzyl-2-methyl-azetidine-2-carboxylic acid methyl ester,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.284g/mol |
| Monoisotopic Mass | 219.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number