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4-Aminohippuric acid

CAT: 0926-FA16039-01Size: 0.05 kgDry Ice: NoHazardous: No
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CAT#:0926-FA16039-01Size:0.05 kg
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CAS Number
61-78-9
Synonyms
N- (4-Aminobenzoyl) glycine; p-Aminohippuric acid
MDL Number
MFCD00007890
Smiles
C1=CC (=CC=C1C (=O) NCC (=O) O) N
Molecular Formula
C9H10N2O3
Molecular Weight
194.19 g/mol
Controlled
No

Chemical Information

p-Aminohippuric acid

P-aminohippuric acid is an N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow. It has a role as a Daphnia magna metabolite. It is a conjugate acid of a p-aminohippurate.

CAS Number61-78-9
PubChem CID2148
IUPAC Name2-[(4-aminobenzoyl)amino]acetic acid
Molecular FormulaC9H10N2O3
Molecular Weight194.19
XLogP-0.9
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity222
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)O)N
InChI
InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
InChIKey
HSMNQINEKMPTIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Aminohippuric acid
CAS: 61-78-9
CID: 2148
Formula: C9H10N2O3
MW: 194.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.19
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass194.06914219
Monoisotopic Mass194.06914219
Topological Polar Surface Area92.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T1436-014-Aminohippuric Acid
sc-481014A4-Aminohippuric-d4 Acid
sc-327699AFmoc-4-aminohippuric acid
sc-326385Boc-4-aminohippuric acid

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