| CAS Number | 1338823-35-0 |
| Catalog Number | AG009DJP(AGN-PC-0WCY1V) |
| Chemical Name | Lysine(crotonyl)-OH |
| IUPAC Name | (2S)-2-amino-6-[[(E)-but-2-enoyl]amino]hexanoic acid |
| InChI | InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1 |
| InChI Key | IZHPCCLNIDDVFG-NCJLJLRUSA-N |
| MDL Number | MFCD22381072 |
| Molecular Formula | C10H18N2O3 |
| Molecular Weight | 214.2615 |
| SMILES | O=C(O)[C@@H](N)CCCCNC(/C=C/C)=O |
| Synonyms | Lysine(crotonyl)-OH,
1338823-35-0,
H-Lys(crotonyl)-OH,
L-Lys(crotonyl)-OH,
N-6-crotonyl-L-lysine,
SCHEMBL18741354,
SCHEMBL20704815,
7333AH,
MFCD22381072,
ZINC230402790,
ACN-040898,
DS-9973,
N~6~-[(2E)-but-2-enoyl]-L-lysine,
C10H18N2O3,
(S)-2-Amino-6-(but-2-enamido)hexanoic acid,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 214.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.265g/mol |
| Monoisotopic Mass | 214.132g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.2 |
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