| CAS Number | 486415-29-6 |
| Catalog Number | AG00E7EY(AGN-PC-038USV) |
| Chemical Name | tert-Butyl 3-carbamoylazetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-carbamoylazetidine-1-carboxylate |
| InChI | InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-4-6(5-11)7(10)12/h6H,4-5H2,1-3H3,(H2,10,12) |
| InChI Key | AGMQPVHOELDCAZ-UHFFFAOYSA-N |
| MDL Number | MFCD11975575 |
| Molecular Formula | C9H16N2O3 |
| Molecular Weight | 200.2349 |
| SMILES | O=C(N1CC(C(N)=O)C1)OC(C)(C)C |
| Synonyms | tert-Butyl 3-carbamoylazetidine-1-carboxylate,
486415-29-6,
3-carbamoyl-azetidine-1-carboxylic acid tert-butyl ester,
1-Boc-azetidine-3-carboxamide,
SCHEMBL6634170,
KS-00000RQQ,
DTXSID30612190,
AGMQPVHOELDCAZ-UHFFFAOYSA-N,
ALBB-031217,
MFCD11975575,
ZINC85345260,
AKOS016344635,
DS-5945,
AK138044,
SC-14485,
AJ-127775,
BB 0263055,
tert-butyl 3-carbaMoylazetidine-1-carboxylat,
tert-Butyl 3-(aminocarbonyl)azetidine-1-carboxylate,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.238g/mol |
| Monoisotopic Mass | 200.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number