| CAS Number | 255060-77-6 |
| Catalog Number | AG006U3L(AGN-PC-0O8AZJ) |
| Chemical Name | Carbamic acid,N-[(1S)-1-(4-aminophenyl)ethyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[(1R)-1-(4-aminophenyl)ethyl]carbamate |
| InChI | InChI=1S/C13H20N2O2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16)/t9-/m1/s1 |
| InChI Key | COSXQRGJLFEFGJ-SECBINFHSA-N |
| MDL Number | MFCD08436134 |
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.3101 |
| SMILES | NC1=CC=C(C=C1)[C@H](C)NC(OC(C)(C)C)=O |
| Synonyms | 255060-77-6,
(R)-[1-(4-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER,
Carbamic acid,N-[(1S)-1-(4-aminophenyl)ethyl]-, 1,1-dimethylethyl ester,
(R)-tert-Butyl (1-(4-aminophenyl)ethyl)carbamate,
(R)-tert-butyl 1-(4-aminophenyl)ethylcarbamate,
SCHEMBL1627576,
CTK4F5945,
COSXQRGJLFEFGJ-SECBINFHSA-N,
ZINC33465774,
AKOS027383629,
FCH1625906,
ACM255060776,
38A445,
(R)-4-(1-tert.butoxycarbonylamino-ethyl)-aniline,
CID10633571,
-[1- -ETHYL]-CARBAMICACIDTERT-BUTYLESTER,
Tert-butyl N-[(1R)-1-(4-aminophenyl)ethyl]carbamate,
262368-44-5,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.315g/mol |
| Monoisotopic Mass | 236.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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