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Basic Description
| Synonyms | 2-(Aminomethyl)phenol | 932-30-9 | 2-hydroxybenzylamine | o-hydroxybenzylamine | 2-aminomethylphenol | 2-HOBA | 696R5N4NRM | MFCD00870498 | NSC-127870 | (Aminomethyl)phenol | CHEMBL3114402 | 50312-64-6 | o-aminomethylphenol | EINECS 213-249-7 | EINECS 256-534-1 | o-hydroxy-benzylamine |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Product Describtion: o-Hydroxybenzylamine (2-HOBA) a selective dicarbonyl scavenger, is an antioxidant and scavanger of free radicals and isolevuglandins (IsoLGs). o-Hydroxybenzylamine can be used in the research of inflammation and cardiovascular disease, such as atherosclerosis, early recurrence of atrial fibrillation (AF) and arrhythmias. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Benzylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Amine - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 2-(aminomethyl)phenol |
|---|---|
| INCHI | InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2 |
| InChIKey | KPRZOPQOBJRYSW-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C(=C1)CN)O |
| Isomeric SMILES | C1=CC=C(C(=C1)CN)O |
| Molecular Weight | 123.15 |
| Reaxy-Rn | 2079478 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079478&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 123.150 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 123.068 Da |
| Monoisotopic Mass | 123.068 Da |
| Topological Polar Surface Area | 46.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 85.000 |
| 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 | 1 |
Solution Calculators
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