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Methyl2- (methylamino) benzoate

CAT: 0013-GTR19154888-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19154888-01Size:1 g
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Description
Methyl2- (methylamino) benzoate is anatural product.
CAS Number
85-91-6
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (605.36 mM)
Smiles
CNc (cccc1) c1C (OC) =O
Molecular Formula
C9H11NO2
Molecular Weight
165.19
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Methyl N-methylanthranilate

Methyl N-methylanthranilate is a methyl ester resulting from the formal condensation of the carboxy group of N-methylanthranilic acid with methanol. It has a role as an animal metabolite, a plant metabolite and a fungal metabolite. It is a methyl ester, a benzoate ester, a substituted aniline and a secondary amino compound. It is functionally related to a N-methylanthranilic acid.

CAS Number85-91-6
PubChem CID6826
IUPAC Namemethyl 2-(methylamino)benzoate
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP2.3
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity159
SMILES
CNC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3
InChIKey
GVOWHGSUZUUUDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl N-methylanthranilate
CAS: 85-91-6
CID: 6826
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area38.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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