Cas no 123986-58-3 (3-amino-4-(pyrrolidin-1-yl)benzoic acid)

3-amino-4-(pyrrolidin-1-yl)benzoic acid structure
123986-58-3 structure
Product Name:3-amino-4-(pyrrolidin-1-yl)benzoic acid
CAS No:123986-58-3
MF:C11H14N2O2
MW:206.241062641144
MDL:MFCD06010205
CID:103927
PubChem ID:1076262
Update Time:2025-09-20

3-amino-4-(pyrrolidin-1-yl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-amino-4-(1-pyrrolidinyl)-
    • Benzoic acid, 3-amino-4-(1-pyrrolidinyl)- (9CI)
    • 3-Amino-4-pyrrolidin-1-yl-benzoic acid
    • 3-amino-4-(pyrrolidin-1-yl)benzoic acid
    • PHOSPHO(ENOL)PYRUVATEMONO(CYCLOHEXYLAMMONIUM)SALT
    • QXWKTXWBBLXQFC-UHFFFAOYSA-N
    • AKOS000300752
    • Benzoic acid, 3-amino-4-(1-pyrrolidinyl)-
    • 3-Amino-4-(1-pyrrolidinyl)benzoic acid
    • 123986-58-3
    • SR-01000324633
    • DTXSID20360092
    • FT-0678687
    • CS-0271756
    • 3-Amino-4-pyrrolidin-1-yl-benzoicacid
    • 3-amino-4-(pyrrolidin-1-yl)benzoicacid
    • SCHEMBL7423568
    • VS-09812
    • EN300-143705
    • 3-amino-4-pyrrolidin-1-ylbenzoic acid
    • SR-01000324633-1
    • STL259876
    • BBL030444
    • MDL： MFCD06010205
    • Inchi： 1S/C11H14N2O2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2,(H,14,15)
    • InChI Key： QXWKTXWBBLXQFC-UHFFFAOYSA-N
    • SMILES： OC(C1C=CC(=C(C=1)N)N1CCCC1)=O

Computed Properties

  • Exact Mass: 206.10562
  • Monoisotopic Mass: 206.106
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 66.6?2

Experimental Properties

  • PSA: 66.56

3-amino-4-(pyrrolidin-1-yl)benzoic acid Security Information

  • HazardClass：IRRITANT

3-amino-4-(pyrrolidin-1-yl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
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Chemenu
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Enamine
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Enamine
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Enamine
EN300-143705-250mg
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Enamine
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