Basic information
- Standard SMILES
CNC(=O)c1ccccc1N- InChIKey
KIMWOULVHFLJIU-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931294
Overview
N-Methylanthranilamide is an aminobenzoic acid.
Names & identifiers
- Preferred name
- 2-Amino-N-methylbenzamide
- IUPAC
- 2-amino-N-methylbenzamide
- English name
- 2-Amino-N-methylbenzamide
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
Show more names
Database identifiers
- CAS
4141-08-6- PubChem CID
- 308072
- DTXSID
DTXSID30308703- ChEBI
CHEBI:81147- EC Number
- 673-048-9
- Nikkaji
- J1.374.332K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 75 °C · 75 °C
- Boiling point
- 346.7 · 346.7±25.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO, Methanol
- form
- Solid
- pka
- 14.73 · 14.73±0.46(Predicted)
- color
- White
- CAS DataBase Reference
- 4141 · 4141-08-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2924297099 · 2924297099
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Amino-N-methylbenzamide is a plant safening agent selected from auxins, auxin precursors, metabolites or derivatives, and acetaminophen or a derivative. Safening examples are provided for fertilizer s, fungicides, insecticides, and herbicides.
General Description2-AMINO-N-METHYLBENZAMIDE is a key synthetic intermediate used to construct the core skeleton of FAK inhibitors (PA-DPPYs). It first reacts with 2,4,5-trichloropyrimidine (or 2,4-dichloro-5-nitropyrimidine) to form the 2-(2-chloro-5-substituted-pyrimidin-4-ylamino) -N-methylbenzamide intermediate, which is subsequently coupled with an aromatic amine containing a phosphate group to ultimately yield a series of bispyrimidine derivatives exhibiting anti-pancreatic cancer activity[6].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Additional notes
DefinitionChEBI: N-Methylanthranilamide is an aminobenzoic acid.
Related reactions
Linked notes
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