| CAS Number | 180079-93-0 |
| Catalog Number | AG00I007(AGN-PC-03UN4S) |
| Chemical Name | Carbamic acid, [2-(3-nitrophenyl)ethyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[2-(3-nitrophenyl)ethyl]carbamate |
| InChI | InChI=1S/C13H18N2O4/c1-13(2,3)19-12(16)14-8-7-10-5-4-6-11(9-10)15(17)18/h4-6,9H,7-8H2,1-3H3,(H,14,16) |
| InChI Key | RDJQHAJURXTACJ-UHFFFAOYSA-N |
| MDL Number | MFCD16620905 |
| Molecular Formula | C13H18N2O4 |
| Molecular Weight | 266.2930 |
| SMILES | O=C(OC(C)(C)C)NCCc1cccc(c1)[N+](=O)[O-] |
| Synonyms | tert-Butyl 3-nitrophenethylcarbamate,
180079-93-0,
SCHEMBL3064038,
t-Butyl 3-nitrophenethylcarbamate,
RDJQHAJURXTACJ-UHFFFAOYSA-N,
MFCD16620905,
STL302090,
ZINC72221357,
AKOS022098638,
MCULE-4867360350,
N-t-Butoxycarbonyl-3-nitrophenethylamine,
CS-0061012,
tert-butyl[2-(3-nitrophenyl)ethyl]carbamate,
tert-butyl [2-(3-nitrophenyl)ethyl]carbamate,
tert-butyl n-[2-(3-nitrophenyl)ethyl]carbamate,
Z1527346963,
Carbamic acid, [2-(3-nitrophenyl)ethyl]-, 1,1-dimethylethyl ester,
[2-(3-Nitro-phenyl)-ethyl]-carbamic acid tert-butyl ester,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.297g/mol |
| Monoisotopic Mass | 266.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number