| CAS Number | 29655-46-7 |
| Catalog Number | AG002Z0W(AGN-PC-000F7G) |
| Chemical Name | benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate |
| IUPAC Name | benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate |
| InChI | InChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-17-16(19)20-12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,17,19) |
| InChI Key | YMODWJQJBRHYIP-UHFFFAOYSA-N |
| MDL Number | MFCD25458437 |
| Molecular Formula | C16H17NO3 |
| Molecular Weight | 271.3111 |
| SMILES | OC1=CC=C(C=C1)CCNC(OCC1=CC=CC=C1)=O |
| Synonyms | 29655-46-7,
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate,
Benzyl 4-hydroxyphenethylcarbamate,
Carbamic acid, [2-(4-hydroxyphenyl)ethyl]-, phenylmethyl ester,
Carbobenzyloxytyramine,
N-carbobenzoxytyramine,
SCHEMBL6554125,
CTK0J1187,
KS-00002BBC,
DTXSID10555935,
YMODWJQJBRHYIP-UHFFFAOYSA-N,
ZINC34226478,
AKOS025393558,
SS-4678,
4-Hydroxyphenethylcarbamic acid benzyl ester,
Benzyl [2-(4-hydroxyphenyl)ethyl]carbamate,
N-(benzyloxycarbonyl)-p-hydroxyphenethylamine,
4-(2-(phenylmethyloxycarbonylamino)ethyl)phenol,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.316g/mol |
| Monoisotopic Mass | 271.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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