| CAS Number | 695171-91-6 |
| Catalog Number | AG00IBY5(AGN-PC-044I6Y) |
| Chemical Name | 4-TErtbutyloxycarbonyl-aminophenylacetaldehyde |
| IUPAC Name | tert-butyl N-[4-(2-oxoethyl)phenyl]carbamate |
| InChI | InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h4-7,9H,8H2,1-3H3,(H,14,16) |
| InChI Key | LAWNSYWKHNZIBE-UHFFFAOYSA-N |
| MDL Number | MFCD06738702 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | CC(OC(NC1=CC=C(CC=O)C=C1)=O)(C)C |
| Synonyms | tert-butyl N-[4-(2-oxoethyl)phenyl]carbamate,
695171-91-6,
tert-Butyl (4-(2-oxoethyl)phenyl)carbamate,
SCHEMBL702839,
LAWNSYWKHNZIBE-UHFFFAOYSA-N,
ZINC35569502,
AKOS015967366,
DA-41662,
tert-butyl 4-(2-oxoethyl)phenylcarbamate,
4-tertbutyloxycarbonyl-aminophenylacetaldehyde,
FT-0713492,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number