2-Amino-3-methylbenzoic acid

HCID 78101
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Substructure searchFind similar structures

Basic information

CAS
4389-45-1
Standard SMILES
Cc1cccc(C(=O)O)c1N
InChIKey
WNAJXPYVTFYEST-UHFFFAOYSA-N
Molecular formula
C8H9NO2
Average molar mass
151.16 g/mol
Monoisotopic mass
151.06332853

Overview

2-Amino-3-methylbenzoate is an aminobenzoic acid.

Names & identifiers

Preferred name
2-Amino-3-methylbenzoic acid
IUPAC
2-amino-3-methylbenzoic acid
English name
3-Methylanthranilic acid
Molecular formula
C8H9NO2
Molecular weight
151.16

Names & synonyms

2-Amino-3-methylbenzoic acid4389-45-13-Methylanthranilic acidBenzoic acid, 2-amino-3-methyl-3-Methyl-2-aminobenzoic acidm-Toluic acid, 2-amino-8RGX6SQE9NNSC-16049DTXSID30195978RefChem:463937DTXCID70118469224-505-2
Show more names
2-Amino-3-methyLFluralaner-0332-Amino-3-methylbenz3-Methyl-2-aMino-acidNiraparib Impurity 14METHYLANTHRANILIC ACID
2-Amino-3-Methyl-Benzoic Acid2-amino-3-methylbenzoicacid2-Amino-3-methylbenzoate3-Methylanthranil acid2-AMINO-M-TOLUIC ACIDMFCD000077452-amino-3-methyl benzoic acid2-amino 3-methylbenzoic acid

Database identifiers

CAS
4389-45-1
PubChem CID
78101
DTXSID
DTXSID30195978
ChEBI
CHEBI:80574
UNII
8RGX6SQE9N
EC Number
224-505-2
Nikkaji
J80.815F

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
63.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

DrugsPharmaceuticals -> Metabolite of Lidocaine
SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point
174 · 174-177 °C (lit.)
Boiling point
273.17 °C · 273.17°C (rough estimate)
Density
1.2023 · 1.2023 (rough estimate)
refractive index
1.581 · 1.5810 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
DMSO, Methanol

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (86%)

Safety data

F
10
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29224999
risk_code
22-36/37/38
Signal word
Warning

Chemistry & industry

Pharmacology

Tissue LocationsKidney
Metabolite PathwaysLidocaine (Antiarrhythmic) Action Pathway
Applications · 2 items

Uses2-Amino-3-methylbenzoic acid is a metabolite of Lidocaine, an antiarrythmic drug that is used to treat patients with ventricular fibrillation. 2-Amino-3-methylbenzoic acid has potential herbicidal activity, and is also used as a reagent to synthesize Ropicavaine, a local anasthetic.

Uses2-Amino-3-methylbenzoic acid is a metabolite of Lidocaine (L397800), an antiarrythmic drug that is used to treat patients with ventricular fibrillation. 2-Amino-3-methylbenzoic acid has potential herbicidal activity, and is also used as a reagent to synthesize Ropicavaine (R675000), a local anasthetic.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州达康新材料有限公司18753078059 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Additional notes

DefinitionChEBI: 2-Amino-3-methylbenzoate is an aminobenzoic acid.

Related reactions

105 records
New reaction record

Compound notes

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