4-(Pyrrolidin-1-yl)but-2-enoic acid

Base Information

• Chemical Name: 4-(Pyrrolidin-1-yl)but-2-enoic acid
• CAS No.: 848133-09-5
• Molecular Formula: C8H13 N O2 . Cl H
• Molecular Weight: 155.19432
• DSSTox Substance ID: DTXSID40699417
• Mol file: 848133-09-5.mol

Synonyms:4-pyrrolidin-1-ylbut-2-enoic acid;4-(Pyrrolidin-1-yl)but-2-enoic acid;(2E)-4-(1-Pyrrolidinyl)-2-butenoic Acid Hydrochloride;DTXSID40699417

Chemical Property of 4-(Pyrrolidin-1-yl)but-2-enoic acid

Chemical Property:

• PSA: 40.54000
• LogP: 0.66090
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 155.094628657
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

(2E)-4-(1-Pyrrolidinyl)-2-butenoicAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CC=CC(=O)O
• Uses: (2E)-4-(1-Pyrrolidinyl)-2-butenoic Acid is used in the preparation of pyridine and pyrimidine compounds as BTK inhibitors.