| CAS Number | 1017044-94-8 |
| Catalog Number | AG0098ZN(AGN-PC-0WD81G) |
| Chemical Name | tert-butyl 3-{[(benzyloxy)carbonyl]amino}azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(phenylmethoxycarbonylamino)azetidine-1-carboxylate |
| InChI | InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-9-13(10-18)17-14(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,19) |
| InChI Key | TXMHXBSZKBBGJI-UHFFFAOYSA-N |
| MDL Number | MFCD09944986 |
| Molecular Formula | C16H22N2O4 |
| Molecular Weight | 306.3569 |
| SMILES | CC(C)(C)OC(=O)N1CC(C1)NC(=O)OCC1=CC=CC=C1 |
| Synonyms | 1017044-94-8,
tert-butyl 3-(benzyloxycarbonylamino)azetidine-1-carboxylate,
TERT-BUTYL 3-{[(BENZYLOXY)CARBONYL]AMINO}AZETIDINE-1-CARBOXYLATE,
tert-butyl 3-(((benzyloxy)carbonyl)amino)azetidine-1-carboxylate,
MFCD09944986,
ZINC22289053,
AKOS000189754,
RL00091,
AS-54196,
CS-0048333,
J-524484,
t-Butyl 3-{[(benzyloxy)carbonyl]aminoazetidine-1-carboxylate,
tert-butyl 3-(phenylmethoxycarbonylamino)azetidine-1-carboxylate,
tert-butyl 3-{[(benzyloxy)carbonyl]aminoazetidine-1-carboxylate,
tert-butyl3-{[(benzyloxy)carbonyl]amino}azetidine-1-carboxylate,
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| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.362g/mol |
| Monoisotopic Mass | 306.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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