3-Amino-4-pyrrolidin-1-yl-benzoic acid

Base Information

• Chemical Name: 3-Amino-4-pyrrolidin-1-yl-benzoic acid
• CAS No.: 123986-58-3
• Molecular Formula: C11H14 N2 O2
• Molecular Weight: 206.24106
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20360092
• Wikidata: Q82141642
• Mol file: 123986-58-3.mol

Synonyms:123986-58-3;3-Amino-4-pyrrolidin-1-yl-benzoic acid;3-amino-4-(pyrrolidin-1-yl)benzoic acid;3-amino-4-pyrrolidin-1-ylbenzoic acid;Benzoic acid, 3-amino-4-(1-pyrrolidinyl)- (9CI);Benzoic acid, 3-amino-4-(1-pyrrolidinyl)-;SCHEMBL7423568;DTXSID20360092;QXWKTXWBBLXQFC-UHFFFAOYSA-N;BBL030444;STL259876;AKOS000300752;3-Amino-4-pyrrolidin-1-yl-benzoicacid;3-Amino-4-(1-pyrrolidinyl)benzoic acid;3-amino-4-(pyrrolidin-1-yl)benzoicacid;VS-09812;CS-0271756;FT-0678687;EN300-143705;SR-01000324633;SR-01000324633-1;PHOSPHO(ENOL)PYRUVATEMONO(CYCLOHEXYLAMMONIUM)SALT

Chemical Property of 3-Amino-4-pyrrolidin-1-yl-benzoic acid

Chemical Property:

• Boiling Point: 435.0±40.0 °C(Predicted)
• PKA: 3.81±0.10(Predicted)
• PSA: 66.56000
• Density: 1.298±0.06 g/cm3(Predicted)
• LogP: 2.21340
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-4-pyrrolidin-1-yl-benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=C(C=C(C=C2)C(=O)O)N