3-Aminobenzoic Acid;4-(Aminomethyl)Benzoic Acid manufacturers and suppliers on PharmaCompass

Chemistry

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Also known as: Schembl4654815
Molecular Formula
C15H16N2O4
Molecular Weight
288.30  g/mol
InChI Key
UZEUHSIFVJICAT-UHFFFAOYSA-N

3-Aminobenzoic Acid;4-(Aminomethyl)Benzoic Acid
1 2D Structure

3-Aminobenzoic Acid;4-(Aminomethyl)Benzoic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-aminobenzoic acid;4-(aminomethyl)benzoic acid
2.1.2 InChI
InChI=1S/C8H9NO2.C7H7NO2/c9-5-6-1-3-7(4-2-6)8(10)11;8-6-3-1-2-5(4-6)7(9)10/h1-4H,5,9H2,(H,10,11);1-4H,8H2,(H,9,10)
2.1.3 InChI Key
UZEUHSIFVJICAT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)N)C(=O)O.C1=CC(=CC=C1CN)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl4654815

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 288.30 g/mol
Molecular Formula C15H16N2O4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass288.11100700 g/mol
Monoisotopic Mass288.11100700 g/mol
Topological Polar Surface Area127 Ų
Heavy Atom Count21
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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