Ameltolide

HCID 13086CAS 787-93-9

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Basic information

Standard SMILES: Cc1cccc(C)c1NC(=O)c1ccc(N)cc1
InChIKey: HZIWGOAXOBPQGY-UHFFFAOYSA-N
Molecular formula: C15H16N2O
Average molar mass: 240.3 g/mol
Monoisotopic mass: 240.12626313

Overview

LY201116 is a member of benzamides.

Names & identifiers

Preferred name: Ameltolide
IUPAC: 4-amino-N-(2,6-dimethylphenyl)benzamide
English name: ameltolide
Molecular formula: C15H16N2O
Molecular weight: 240.3

Names & synonyms

Ameltolide4-Amino-N-(2,6-dimethylphenyl)benzamide787-93-9AmeltolidaAmeltolidumLY-201116DTXSID7052860LY 201116F83240ZOVEDTXCID4031271RefChem:556929804-885-1

Show more names

Ameltolide, 10 mM in DMSO4-azanyl-N-(2,6-dimethylphenyl)benzamide4-amino-N-(2,6-dimethylphenyl)benzamide(SALTDATA: FREE)

4-Amino-2',6'-benzoxylidideAmeltolidum [INN-Latin]Ameltolida [INN-Spanish]LY201116ADD-750732',6'-BENZOXYLIDIDE, 4-AMINO-Benzamide,4-amino-N-(2,6-dimethylphenyl)-Benzamide, 4-amino-N-(2,6-dimethylphenyl)-

Database identifiers

CAS: 787-93-9
PubChem CID: 13086
DTXSID: DTXSID7052860
ChEMBL: CHEMBL22916
ChEBI: CHEBI:6342
UNII: F83240ZOVE
EC Number: 804-885-1
Nikkaji: J126.204A

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 274

Physicochemical properties

Melting point: 223 °C · 223 °C
Boiling point: 340.8 · 340.8±42.0 °C(Predicted)
Density: 1.182 · 1.182±0.06 g/cm3(Predicted)
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 14.37 · 14.37±0.70(Predicted)
color: Dark Yellow
FDA UNII: 83240 ZOVE · F83240ZOVE
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362