| CAS Number | 861904-21-4 |
| Catalog Number | AG004K62(AGN-PC-0WAEOY) |
| Chemical Name | N-Propyl L-Z-Valinamide |
| IUPAC Name | benzyl N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]carbamate |
| InChI | InChI=1S/C16H24N2O3/c1-4-10-17-15(19)14(12(2)3)18-16(20)21-11-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,17,19)(H,18,20)/t14-/m0/s1 |
| InChI Key | PROIQIHYUUSYMC-AWEZNQCLSA-N |
| MDL Number | MFCD22383738 |
| Molecular Formula | C16H24N2O3 |
| Molecular Weight | 292.3734 |
| SMILES | CCCNC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1 |
| Synonyms | 861904-21-4,
(S)-Benzyl (3-methyl-1-oxo-1-(propylamino)butan-2-yl)carbamate,
CTK8C5266,
DTXSID90649705,
ANW-74962,
KM2389,
ZINC12796055,
AKOS016008511,
AJ-63035,
AX8242764,
TC-163707,
Benzyl [(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]carbamate,
N-Propyl L-Z-Valinamide,
(S)-Benzyl(3-methyl-1-oxo-1-(propylamino)butan-2-yl)carbamate,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.379g/mol |
| Monoisotopic Mass | 292.179g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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