| CAS Number | 223673-35-6 |
| Catalog Number | AG00C3C7(AGN-PC-0WANGH) |
| Chemical Name | (N-tert-Butoxycarbonyl-N-[(1'R)-hydroxy-1-phenyl)ethyl])-4-nitrophenylethylaMine |
| IUPAC Name | tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-nitrophenyl)ethyl]carbamate |
| InChI | InChI=1S/C21H26N2O5/c1-21(2,3)28-20(25)22(15-19(24)17-7-5-4-6-8-17)14-13-16-9-11-18(12-10-16)23(26)27/h4-12,19,24H,13-15H2,1-3H3/t19-/m0/s1 |
| InChI Key | CZXVZFSVMHLZMY-IBGZPJMESA-N |
| MDL Number | MFCD18379234 |
| Molecular Formula | C21H26N2O5 |
| Molecular Weight | 386.4415 |
| SMILES | CC(C)(C)OC(=O)N(CCC1=CC=C(C=C1)[N+]([O-])=O)C[C@H](O)C1=CC=CC=C1 |
| Synonyms | 223673-35-6,
(N-tert-Butoxycarbonyl-N-[(1'R)-hydroxy-1-phenyl)ethyl])-4-nitrophenylethylamine,
(R)-tert-Butyl (2-hydroxy-2-phenylethyl)(4-nitrophenethyl)carbamate,
CZXVZFSVMHLZMY-IBGZPJMESA-N,
SCHEMBL17177098,
DTXSID60673057,
KS-00000SR3,
ZINC65735037,
AKOS027324344,
DS-11494,
FT-0663941,
J-014672,
tert-butyl (R)-N-(2-hydroxy-2-phenylethyl)-N-[2-(4-nitro-phenyl)ethyl]carbamate,
tert-Butyl [(2R)-2-hydroxy-2-phenylethyl][2-(4-nitrophenyl)ethyl]carbamate,
(N-tert-Butoxycarbonyl-N-[(1 inverted exclamation mark R)-hydroxy-1-phenyl)ethyl])-4-nitrophenylethylamine,
[(2R)-2-Hydroxy-2-phenylethyl][2-(4-nitrophenyl)ethyl]carbamic Acid 1,1-Dimethylethyl Ester,
|
| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.448g/mol |
| Monoisotopic Mass | 386.184g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 95.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number