| CAS Number | 1309207-05-3 |
| Catalog Number | AG00HSA1(AGN-PC-0WCKMB) |
| Chemical Name | tert-butyl 3-(N'-hydroxycarbamimidoyl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-[(Z)-N'-hydroxycarbamimidoyl]azetidine-1-carboxylate |
| InChI | InChI=1S/C9H17N3O3/c1-9(2,3)15-8(13)12-4-6(5-12)7(10)11-14/h6,14H,4-5H2,1-3H3,(H2,10,11) |
| InChI Key | LKMSPPMVVCKIPS-UHFFFAOYSA-N |
| MDL Number | MFCD27986929 |
| Molecular Formula | C9H17N3O3 |
| Molecular Weight | 215.2496 |
| SMILES | CC(OC(N1CC(C(N)=NO)C1)=O)(C)C |
| Synonyms | 1309207-05-3,
TERT-BUTYL 3-(N-HYDROXYCARBAMIMIDOYL)AZETIDINE-1-CARBOXYLATE,
tert-Butyl 3-(N'-hydroxycarbamimidoyl)-azetidine-1-carboxylate,
tert-butyl 3-(N'-hydroxycarbamimidoyl)azetidine-1-carboxylate,
SCHEMBL12649076,
ZINC76644958,
SB11430,
AS-52055,
CS-0048361,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 215.126991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.25g/mol |
| Monoisotopic Mass | 215.126991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number