| CAS Number | 1254120-14-3 |
| Catalog Number | AG000NNH(AGN-PC-0WNH2U) |
| Chemical Name | tert-butyl 3-amino-3-carbamoylazetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-amino-3-carbamoylazetidine-1-carboxylate |
| InChI | InChI=1S/C9H17N3O3/c1-8(2,3)15-7(14)12-4-9(11,5-12)6(10)13/h4-5,11H2,1-3H3,(H2,10,13) |
| InChI Key | OAKMOLUZPTYUBR-UHFFFAOYSA-N |
| MDL Number | MFCD21842621 |
| Molecular Formula | C9H17N3O3 |
| Molecular Weight | 215.2496 |
| SMILES | O=C(N1CC(C(N)=O)(N)C1)OC(C)(C)C |
| Synonyms | 1254120-14-3,
tert-butyl 3-amino-3-carbamoylazetidine-1-carboxylate,
SCHEMBL12653430,
1-Boc-3-amino-3-carbamoylazetidine,
MFCD21842621,
ZINC86161333,
AKOS017861013,
FCH5439928,
NE47374,
KS-0000084N,
BBV-41877343,
BS-12456,
1-Boc-3-amino-3-(aminocarbonyl)-azetidine,
CS-0048323,
EN300-180978,
t-Butyl 3-amino-3-carbamoylazetidine-1-carboxylate,
tert-butyl 3-amino-3-(aminocarbonyl)azetidine-1-carboxylate,
1-Azetidinecarboxylic acid, 3-amino-3-(aminocarbonyl)-, 1,1-dimethylethyl ester,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.253g/mol |
| Monoisotopic Mass | 215.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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