| CAS Number | 912444-78-1 |
| Catalog Number | AG00IGJV(AGN-PC-0WADOJ) |
| Chemical Name | Methyl 1-Cbz-3-methylazetidine-3-carboxylate |
| IUPAC Name | 1-O-benzyl 3-O-methyl 3-methylazetidine-1,3-dicarboxylate |
| InChI | InChI=1S/C14H17NO4/c1-14(12(16)18-2)9-15(10-14)13(17)19-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3 |
| InChI Key | CWEGURJYRSTPQC-UHFFFAOYSA-N |
| MDL Number | MFCD20126203 |
| Molecular Formula | C14H17NO4 |
| Molecular Weight | 263.2891 |
| SMILES | COC(=O)C1(C)CN(C(=O)OCc2ccccc2)C1 |
| Synonyms | 912444-78-1,
1-benzyl 3-methyl 3-methylazetidine-1,3-dicarboxylate,
METHYL 1-CBZ-3-METHYLAZETIDINE-3-CARBOXYLATE,
SCHEMBL631724,
MFCD20126203,
ZINC79064849,
AKOS025146583,
FCH2794638,
GS-5715,
PB18292,
AK165458,
OR317167,
CS-0052622,
KS-00000354,
Q-2676,
1-O-benzyl 3-O-methyl 3-methylazetidine-1,3-dicarboxylate,
Methyl 1-Cbz-3-methylazetidine-3-carboxylate, AldrichCPR,
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| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.293g/mol |
| Monoisotopic Mass | 263.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number