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N-(2-methylquinolin-6-yl)acetamide

HCID 459664
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
130976-62-4
Standard SMILES
CC(=O)Nc1ccc2nc(C)ccc2c1
InChIKey
ZWLXQDPVQTXRLQ-UHFFFAOYSA-N
Molecular formula
C12H12N2O
Average molar mass
200.24 g/mol
Monoisotopic mass
200.09496301

Names & identifiers

Preferred name
N-(2-methylquinolin-6-yl)acetamide
IUPAC
N-(2-methylquinolin-6-yl)acetamide
English name
6-Acetamidoquinaldine
Molecular formula
C12H12N2O
Molecular weight
200.24

Names & synonyms

N-(2-methylquinolin-6-yl)acetamide130976-62-4Acetamide, N-(2-methyl-6-quinolinyl)-N-(2-methyl-6-quinolinyl)acetamideMFCD00452542N-(2-methyl-6-quinolyl)acetamide6-Acetamidoquinaldine6-acetylaminoquinaldineCambridge id 5150046Oprea1_397505CBDivE_003289SCHEMBL2175124
Show more names
N-(2-methylquinolin-6-yl)ethanamide
ZWLXQDPVQTXRLQ-UHFFFAOYSA-NALBB-027857STL356368AKOS022130865LS-09643H43736SR-01000196991SR-01000196991-1

Database identifiers

CAS
130976-62-4
PubChem CID
459664

Properties

Computed structural propertiesFilling in

XLogP
2
Topological polar surface area
42 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
242

Physicochemical properties

Melting point
168.5 °C · 168.5 °C
Boiling point
425.4 · 425.4±25.0 °C(Predicted)
Density
1.205 · 1.205±0.06 g/cm3(Predicted)
pka
14.3 · 14.30±0.43(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Related reactions

2 records
New reaction record
HRID 585302 reaction equation
HRID 585302As productuspto-grants-2005_08
HRID 678225 reaction equation
HRID 678225As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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