(2S,4R)-1-heptyl-4-hydroxypyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (2S,4R)-1-heptyl-4-hydroxypyrrolidine-2-carboxylic acid
• CAS No.: 76666-35-8
• Molecular Formula: C12H23 N O3
• Molecular Weight: 229.32
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20703728
• Wikidata: Q82635973
• Mol file: 76666-35-8.mol

Synonyms:76666-35-8;N-heptylhydroxyproline;SCHEMBL8875794;(2S,4R)-1-heptyl-4-hydroxypyrrolidine-2-carboxylic acid;DTXSID20703728;(4R)-1-Heptyl-4-hydroxy-L-proline

Chemical Property of (2S,4R)-1-heptyl-4-hydroxypyrrolidine-2-carboxylic acid

Chemical Property:

• Boiling Point: 382.6±42.0 °C(Predicted)
• PKA: 2.16±0.40(Predicted)
• PSA: 60.77000
• Density: 1.096±0.06 g/cm3(Predicted)
• LogP: 1.41450
• Storage Temp.: −20°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 229.16779360
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

98%Min ^*data from raw suppliers

(4R)-1-Heptyl-4-hydroxy-L-proline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCN1CC(CC1C(=O)O)O
• Isomeric SMILES: CCCCCCCN1C[C@@H](C[C@H]1C(=O)O)O