| CAS Number | 147353-95-5 |
| Catalog Number | AG001EUG(AGN-PC-0Q08S5) |
| Chemical Name | Carbamic acid, N-[1-(4-chlorophenyl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[1-(4-chlorophenyl)-2-hydroxyethyl]carbamate |
| InChI | InChI=1S/C13H18ClNO3/c1-13(2,3)18-12(17)15-11(8-16)9-4-6-10(14)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,17) |
| InChI Key | QUURCBFBLHSKLE-UHFFFAOYSA-N |
| MDL Number | MFCD24387088 |
| Molecular Formula | C13H18ClNO3 |
| Molecular Weight | 271.7399 |
| SMILES | O=C(OC(C)(C)C)NC(C1=CC=C(Cl)C=C1)CO |
| Synonyms | 147353-95-5,
tert-Butyl (1-(4-chlorophenyl)-2-hydroxyethyl)carbamate,
tert-Butyl 1-(4-chlorophenyl)-2-hydroxyethylcarbaMate,
AK142323,
tert-Butyl [1-(4-chlorophenyl)-2-hydroxyethyl]carbamate,
QUURCBFBLHSKLE-UHFFFAOYSA-N,
SCHEMBL393133,
DTXSID20601558,
MFCD24387088,
AKOS022174820,
DS-7515,
AX8282183,
CS-0060992,
2-(4-Chlorophenyl)-2-(tert-butoxycarbonylamino)ethanol,
tert-butyl N-[1-(4-chlorophenyl)-2-hydroxyethyl]carbamate,
Carbamic acid, N-[1-(4-chlorophenyl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.741g/mol |
| Monoisotopic Mass | 271.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number