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4-Aminobenzoic acid-d4 - ≥97%(CP),≥98 atom% D, high purity , CAS No.350820-01-8

COA

Grade & Purity:

≥97%(CP),≥98 atom% D

Cas Number: 350820-01-8
Molecular Weight: 141.16
PubChem CID: 46780143

In stock

Item Number

A757439

Grouped product items
SKU	Size	Availability	Price
A757439-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
A757439-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
A757439-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$319.90
A757439-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$879.90

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Metabolite (5307)

Basic Description

Synonyms	PABA-d4 \| Vitamin Bx-d4 \| Vitamin H1-d4 \| p-Aminobenzoic acid-d4
Specifications & Purity	≥97%(CP),≥98 atom% D
Storage Temp	Protected from light,Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	4-Aminobenzoic acid-d4 is the deuterium labeled 4-Aminobenzoic acid. 4-Aminobenzoic acid is an intermediate in the synthesis of folate by bacteria, plants, and fungi.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Aminobenzoic acids and derivatives
        Level6 Aminobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives
Direct Parent	Aminobenzoic acids
Alternative Parents	Benzoic acids Benzoyl derivatives Aniline and substituted anilines Amino acids Carboxylic acids Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-amino-2,3,5,6-tetradeuteriobenzoic acid
INCHI	InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)/i1D,2D,3D,4D
InChIKey	ALYNCZNDIQEVRV-RHQRLBAQSA-N
Smiles	C1=CC(=CC=C1C(=O)O)N
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])N)[2H]
Alternate CAS	150-13-0（unlabelled）
Molecular Weight	141.16
Reaxy-Rn	471605
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471605&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	141.160 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	141.073 Da
Monoisotopic Mass	141.073 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	128.000
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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