| CAS Number | 421551-75-9 |
| Catalog Number | AG00I86J(AGN-PC-0WCYAZ) |
| Chemical Name | tert-Butyl 4-formylphenethylcarbamate |
| IUPAC Name | tert-butyl N-[2-(4-formylphenyl)ethyl]carbamate |
| InChI | InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-9-8-11-4-6-12(10-16)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17) |
| InChI Key | NCVPDGAQMNTPMP-UHFFFAOYSA-N |
| MDL Number | MFCD20261461 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | O=CC1=CC=C(CCNC(OC(C)(C)C)=O)C=C1 |
| Synonyms | tert-Butyl 4-formylphenethylcarbamate,
421551-75-9,
4-(2-BOC-AMINO)ETHYL-BENZALDEHYDE,
SCHEMBL693427,
DTXSID30591017,
4-(2-Boc-amino)ethylbenzaldehyde,
NCVPDGAQMNTPMP-UHFFFAOYSA-N,
MFCD20261461,
ZINC72233469,
AKOS005264485,
AS-35856,
AB0073857,
AX8266546,
tert-butyl 2-(4-formylphenyl)ethylcarbamate,
EN300-170529,
tert-butyl [2-(4-formylphenyl)ethyl]carbamate,
X-1816,
tert-butyl N-[2-(4-formylphenyl)ethyl]carbamate,
[2-(4-formyl-phenyl)-ethyl]-carbamic acid tert-butyl ester,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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