(2S)-4-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino](113C)pentanoic acid;hydrate

Base Information

• Chemical Name: (2S)-4-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino](113C)pentanoic acid;hydrate
• CAS No.: 201740-80-9
• Molecular Formula: C11H21 N O4 . H2 O
• Molecular Weight: 250.31302
• DSSTox Substance ID: DTXSID20583865
• Mol file: 201740-80-9.mol

Synonyms:201740-80-9;(2S)-4-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino](113C)pentanoic acid;hydrate;Boc-Leu-OH inverted exclamation mark currencyH2O-13C;Boc-Leu-OH-1-13C monohydrate;DTXSID20583865;HY-W101495S;CS-0376152;Boc-Leu-OH-1-13C monohydrate, 99 atom % 13C;N-(tert-Butoxycarbonyl)-L-(1-~13~C)leucine--water (1/1);N-(tert-Butoxycarbonyl)-L-leucine-1-13c monohydrate,99 atom % 13c

Chemical Property of (2S)-4-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino](113C)pentanoic acid;hydrate

Chemical Property:

• Melting Point: 85-87 °C(lit.)
• PSA: 88.35000
• LogP: 2.15050
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 250.16097767
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

97% ^*data from raw suppliers

Boc-Leu-OH-1-13C monohydrate 99 atom % ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C.O
• Isomeric SMILES: CC(C)C[C@@H]([13C](=O)O)NC(=O)OC(C)(C)C.O