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Sodium 4-aminohippurate

CAT: 1568-C10120Size: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C10120Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
94-16-6
Synonyms
Aminohippurate sodium
SKU
C10120-25mg
Target
Others
Applications
Others
Smiles
C1=CC (=CC=C1C (=O) NCC (=O) [O-]) N.[Na+]
Molecular Formula
C9H9N2NaO3
Additionnal Information
Sodium 4-aminohippurate (Aminohippurate sodium) is a derivative of hippuric acid.
Storage Conditions
2 years -80 in solvent

Chemical Information

Sodium p-aminohippurate

Sodium p-aminohippurate is an organic sodium salt that is the monosodium salt of p-aminohippuric acid. It has a role as a diagnostic agent. It contains a p-aminohippurate.

CAS Number94-16-6
PubChem CID443971
IUPAC Namesodium 2-[(4-aminobenzoyl)amino]acetate
Molecular FormulaC9H9N2NaO3
Molecular Weight216.17
Topological Polar Surface Area95.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity227
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)[O-])N.[Na+]
InChI
InChI=1S/C9H10N2O3.Na/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);/q;+1/p-1
InChIKey
UNZMYCAEMNVPHX-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium p-aminohippurate
CAS: 94-16-6
CID: 443971
Formula: C9H9N2NaO3
MW: 216.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.17
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass216.05108644
Monoisotopic Mass216.05108644
Topological Polar Surface Area95.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
S4414-01Sodium 4-aminohippurate
GTR19168704-01Aminohippurate sodium
M19840-01Sodium 4-aminohippurate Hydrate
HY-A0080-01Aminohippurate (sodium)
S04010-01Sodium p-aminohippurate hydrate
HY-15286-01Sodium 4-pentynoate
HY-177663SARSi-4 (sodium)
FS70459-01Sodium 4-chlorobenzoate
AAA51574-01Sodium 4-aminobenzenesulfonate
HY-W004048-01Sodium 4-methylbenzenesulfonate

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