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2-(Aminomethyl)benzoic acid hydrochloride - 95%, high purity , CAS No.10017-39-7

COA

Grade & Purity:

≥95%

Cas Number: 10017-39-7
Molecular Weight: 187.62
PubChem CID: 45263715
PubChem SID: 488201161

In stock

Item Number

A165340

Grouped product items
SKU	Size	Availability	Price
A165340-250mg	250mg	3	$103.90
A165340-1g	1g	2	$372.90
A165340-5g	5g	2	$1,677.90

Basic Description

Synonyms	MFCD09028989 \| 2-(Aminomethyl)benzoic acid--hydrogen chloride (1/1) \| 2-(Aminomethyl)-benzoic acid hydrochloride(1:1 \| 2-(Aminomethyl)benzoic acid hydrochloride, 95% \| SB30029 \| 2-(aminomethyl)benzoic acid;hydrochloride \| SCHEMBL4542361 \| 2-(aminomethyl)b
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Amino acids Carboxylic acids Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Primary amine - Hydrochloride - 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 benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488201161
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488201161
IUPAC Name	2-(aminomethyl)benzoic acid;hydrochloride
INCHI	InChI=1S/C8H9NO2.ClH/c9-5-6-3-1-2-4-7(6)8(10)11;/h1-4H,5,9H2,(H,10,11);1H
InChIKey	HWHUNDJAGYQZHL-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)CN)C(=O)O.Cl
Isomeric SMILES	C1=CC=C(C(=C1)CN)C(=O)O.Cl
WGK Germany	3
UN Number	3077
Packing Group	III
Molecular Weight	187.62
Reaxy-Rn	3696188
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3696188&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2205738	Certificate of Analysis	May 12, 2025	A165340
H2205665	Certificate of Analysis	May 12, 2025	A165340
H2205740	Certificate of Analysis	May 12, 2025	A165340

Chemical and Physical Properties

Melt Point(°C)	219-225 °C
Molecular Weight	187.620 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	187.04 Da
Monoisotopic Mass	187.04 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147.000
Isotope Atom Count	0
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	2

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