| CAS Number | 87325-65-3 |
| Catalog Number | AG00H0X3(AGN-PC-000QO6) |
| Chemical Name | N-Acetyl-4,5-dehydro-DL-leucine |
| IUPAC Name | 2-acetamido-4-methylpent-4-enoic acid |
| InChI | InChI=1S/C8H13NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h7H,1,4H2,2-3H3,(H,9,10)(H,11,12) |
| InChI Key | XWBXANFRXWKOCS-UHFFFAOYSA-N |
| MDL Number | MFCD00151789 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | CC(CC(C(O)=O)NC(C)=O)=C |
| Synonyms | 87325-65-3,
2-ACETAMIDO-4-METHYLPENT-4-ENOIC ACID,
N-ACETYL-4,5-DEHYDRO-DL-LEUCINE,
N-acetyl-4-methylidenenorvaline,
(S)-2-Acetamido-4-methylpent-4-enoic acid,
2-acetamido-4-methyl-4-pentenoic acid,
DTXSID30557496,
MFCD00151789,
STK693249,
AKOS005604823,
MCULE-7639004071,
2-acetamido-4-methyl-pent-4-enoic acid,
AS-40815,
FT-0629796,
ST24039820,
A842085,
F2147-6639,
Z2513337896,
ACN-026463,
88547-24-4,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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