6-Methylanthranilic acid

C8H9NO2CAS 4389-50-8151.16 g/mol

Open in Covalent MOL file
NH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
logP
1.28Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4389-50-8
SMILES
CC1=C(C(=CC=C1)N)C(=O)O
InChIKey
XHYVBIXKORFHFM-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2-Amino-6-methylbenzoic acid

Work with 6-Methylanthranilic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethylbenzoic acid632-46-272 % similar 3-Aminophthalic acid5434-20-864 % similar 2-Amino-6-bromobenzoic acid20776-48-162 % similar 2-Chloro-6-methylbenzoic acid21327-86-662 % similar 2-Amino-6-chlorobenzoic acid2148-56-362 % similar 2-Bromo-6-methylbenzoic acid90259-31-762 % similar 2-Amino-6-methoxybenzoic acid53600-33-261 % similar 2-Methoxy-6-methylbenzoic acid6161-65-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook