| CAS Number | 220648-78-2 |
| Catalog Number | AG00I4BS(AGN-PC-0QYMHB) |
| Chemical Name | tert-Butyl 4-(n-hydroxycarbamimidoyl)-benzylcarbamate |
| IUPAC Name | tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]carbamate |
| InChI | InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)15-8-9-4-6-10(7-5-9)11(14)16-18/h4-7,18H,8H2,1-3H3,(H2,14,16)(H,15,17) |
| InChI Key | QDVBCHJDHLYNCR-UHFFFAOYSA-N |
| MDL Number | MFCD08703158 |
| Molecular Formula | C13H19N3O3 |
| Molecular Weight | 265.3083 |
| SMILES | CC(OC(NCC1=CC=C(C(N)=NO)C=C1)=O)(C)C |
| Synonyms | 220648-78-2,
tert-Butyl 4-(N-hydroxycarbamimidoyl)benzylcarbamate,
TERT-BUTYL 4-(N-HYDROXYCARBAMIMIDOYL)-BENZYLCARBAMATE,
CTK4E8449,
DTXSID30700581,
QDVBCHJDHLYNCR-UHFFFAOYSA-N,
AKOS017478547,
tert-butyl {4-[amino(hydroxyimino)methyl]benzyl}carbamate,
tert-Butyl {[4-(N'-hydroxycarbamimidoyl)phenyl]methyl}carbamate,
Carbamic acid, [[4-[(hydroxyamino)iminomethyl]phenyl]methyl]-,1,1-dimethylethyl ester,
Carbamic acid,N-[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]-, 1,1-dimethylethyl ester,
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| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.313g/mol |
| Monoisotopic Mass | 265.143g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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