| CAS Number | 85613-64-5 |
| Catalog Number | AG004Q9F(AGN-PC-0V1GD3) |
| Chemical Name | (3S)-Boc-3-amino-4-phenyl-2-butanone |
| IUPAC Name | tert-butyl N-[(2S)-3-oxo-1-phenylbutan-2-yl]carbamate |
| InChI | InChI=1S/C15H21NO3/c1-11(17)13(10-12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,13H,10H2,1-4H3,(H,16,18)/t13-/m0/s1 |
| InChI Key | DMMVKJGUXXSORJ-ZDUSSCGKSA-N |
| MDL Number | MFCD00673778 |
| Molecular Formula | C15H21NO3 |
| Molecular Weight | 263.3321 |
| SMILES | [C@H](C(=O)C)(NC(=O)OC(C)(C)C)CC1C=CC=CC=1 |
| Synonyms | (3S)-BOC-3-AMINO-4-PHENYL-2-BUTANONE,
85613-64-5,
AC1MBSMO,
(S)-tert-Butyl (3-oxo-1-phenylbutan-2-yl)carbamate,
SCHEMBL7311950,
DMMVKJGUXXSORJ-ZDUSSCGKSA-N,
ZINC2568201,
4280AH,
KM2336,
MFCD00673778,
AKOS027340122,
Boc-(3S)-3-amino-4-phenyl-2-butanone,
tert-butyl (1S)-1-benzyl-2-oxopropylcarbamate,
tert-butyl N-[(2S)-3-oxo-1-phenylbutan-2-yl]carbamate,
[(S)-1-Benzyl-2-oxopropyl]carbamic acid tert-butyl ester,
C15H21NO3,
CID2756026,
-BOC-3-AMINO-4-PHENYL-2-BUTANONE,
Tert-butyl N-(3-oxo-1-phenyl-butan-2-yl)carbamate,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.337g/mol |
| Monoisotopic Mass | 263.152g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.4A^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
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