| CAS Number | 180593-41-3 |
| Catalog Number | AG002250(AGN-PC-0A9YBD) |
| Chemical Name | tert-butyl N-(4-hydroxyphenyl)-N-methylcarbamate |
| IUPAC Name | tert-butyl N-(4-hydroxyphenyl)-N-methylcarbamate |
| InChI | InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3 |
| InChI Key | OLCINQXFUANAPJ-UHFFFAOYSA-N |
| MDL Number | MFCD12779309 |
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.2683 |
| SMILES | CN(C1=CC=C(O)C=C1)C(OC(C)(C)C)=O |
| Synonyms | 180593-41-3,
tert-Butyl (4-hydroxyphenyl)(methyl)carbamate,
tert-butyl N-(4-hydroxyphenyl)-N-methylcarbamate,
(4-Hydroxy-phenyl)-methyl-carbamic acid tert-butyl ester,
SCHEMBL3364970,
OLCINQXFUANAPJ-UHFFFAOYSA-N,
4654AJ,
ZINC38056619,
AKOS010255155,
MCULE-2592396422,
NE19933,
AJ-94471,
EN300-51830,
Z1258578366,
(4-Hydroxy-phenyl)-methyl-carbamic acid tert-butyl ester, AldrichCPR,
Carbamic acid, N-(4-hydroxyphenyl)-N-methyl-, 1,1-dimethylethyl ester,
C12H17NO3,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.272g/mol |
| Monoisotopic Mass | 223.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number