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Boc-L-alaninal - ≥98%, high purity , CAS No.79069-50-4
Basic Description Synonyms AI3-62351 | Boc-L-alanine Merrifield resin Mesh Size 100-200 Substitution 0.8 meq/g 1% DVB | tert-butyl (1S)-1-methyl-2-oxoethylcarbamate | N-tert-Butoxycarbonyl-L-alaninal | (S)-t-butyl 1-oxopropan-2-yl carbamate | Boc-L-alanine aldehyde | EN300-156991 | Specifications & Purity ≥98% Storage Temp Store at -20°C,Argon charged Shipped In Ice chest + Ice pads
Associated Targets(Human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers Pubchem Sid 504764540 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504764540 IUPAC Name tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate INCHI InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1 InChi Key OEQRZPWMXXJEKU-LURJTMIESA-N Canonical SMILES CC(C=O)NC(=O)OC(C)(C)C Isomeric SMILES C[C@@H](C=O)NC(=O)OC(C)(C)C WGK Germany 3 PubChem CID 7015728 Molecular Weight 173.21
Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Methanol Sensitivity air sensitive；Moisture sensitive Specific Rotation[α] -33° (C=1,MeOH) Melt Point(°C) 89 °C Molecular Weight 173.210 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 173.105 Da Monoisotopic Mass 173.105 Da Topological Polar Surface Area 55.400 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 172.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
Safety and Hazards(GHS) Pictogram(s) GHS07 Signal Warning Hazard Statements H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
H302: Harmful if swallowed
Precautionary Statements P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.
P280: Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352: IF ON SKIN: wash with plenty of water.
P321: Specific treatment (see ... on this label).
P405: Store locked up.
P501: Dispose of contents/container to ...
P264: Wash hands [and …] thoroughly after handling.
P271: Use only outdoors or in a well-ventilated area.
P270: Do not eat, drink or smoke when using this product.
P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing.
P403+P233: Store in a well-ventilated place. Keep container tightly closed.
P362+P364: Take off contaminated clothing and wash it before reuse.
P330: Rinse mouth.
P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.
P301+P317: IF SWALLOWED: Get medical help.
P337+P317: If eye irritation persists: Get medical help.
P332+P317: If skin irritation occurs: Get medical help.
P319: Get medical help if you feel unwell.
WGK Germany 3
References 1. James A Marshall, James J Mulhearn,. (2005-04-09) Synthesis of a C20-C26 segment of superstolide A by addition of a chiral allenylzinc reagent to (R)-N-boc alaninal.. Organic letters, 7 ((8)): ( 1593-1596 ). [PMID:15816760 ]
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