| CAS Number | 882528-81-6 |
| Catalog Number | AG00IF0T(AGN-PC-0OLKQA) |
| Chemical Name | N-Isopropyl L-Valinamide |
| IUPAC Name | (2S)-2-amino-3-methyl-N-propan-2-ylbutanamide |
| InChI | InChI=1S/C8H18N2O/c1-5(2)7(9)8(11)10-6(3)4/h5-7H,9H2,1-4H3,(H,10,11)/t7-/m0/s1 |
| InChI Key | CIIJAGYKJKFWLK-ZETCQYMHSA-N |
| MDL Number | MFCD09724540 |
| Molecular Formula | C8H18N2O |
| Molecular Weight | 158.2413 |
| SMILES | CC(C)NC(=O)[C@@H](N)C(C)C |
| Synonyms | 882528-81-6,
Butanamide, 2-amino-3-methyl-N-(1-methylethyl)-, (2S)-,
N~1~-isopropyl-L-valinamide,
SCHEMBL5323496,
KM2591,
ZINC11958249,
AKOS010391705,
AJ-60637,
(2S)-2-AMINO-N-ISOPROPYL-3-METHYLBUTANAMIDE,
F2147-1604,
N-Isopropyl L-Valinamide,
N-Isopropyl-L-valinamide,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.245g/mol |
| Monoisotopic Mass | 158.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number