1-Naphthalenecarboxamide

HCID 75244

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Basic information

CAS: 2243-81-4
Standard SMILES: NC(=O)c1cccc2ccccc12
InChIKey: RMHJJUOPOWPRBP-UHFFFAOYSA-N
Molecular formula: C11H9NO
Average molar mass: 171.19 g/mol
Monoisotopic mass: 171.06841391

Names & identifiers

Preferred name: 1-Naphthalenecarboxamide
IUPAC: naphthalene-1-carboxamide
English name: NAPHTHALENE-1-CARBOXAMIDE
Molecular formula: C11H9NO
Molecular weight: 171.2

Names & synonyms

1-Naphthamide1-Naphthalenecarboxamidealpha-Naphthamide.alpha.-NaphthamideDTXSID90176960NSC 38871RefChem:76457DTXCID4099451RMHJJUOPOWPRBP-UHFFFAOYSA-N2243-81-4naphthalene-1-carboxamide1-Naphthalimide

Show more names

1-phthamide1-NAPTHAMIDEA-NAPHTHAMIDEALPHA-NAPTHOIC ACID AMIDE

1-NaphthylamidenaphthalenecarboxamideMFCD00014314naphthamidenaphthylacetamidenaphthoic acid amideEnamine_005415MLS001005425

Database identifiers

CAS: 2243-81-4
PubChem CID: 75244
DTXSID: DTXSID90176960
ChEMBL: CHEMBL1863908
UNII: FMR4FA7C9D
EC Number: 673-720-1
Nikkaji: J95.580I

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 202

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP1.88

Solubility>25.7 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 201 · 201-204°C
Boiling point: 301.18 °C · 301.18°C (rough estimate)
Density: 1.1242 · 1.1242 (rough estimate)
refractive index: 1.49 · 1.4900 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly, Heated)
form: Solid
pka: 16 · 16.00±0.30(Predicted)
color: White to Off-White
BRN: 2044731 · 2044731
CAS DataBase Reference: 2243 · 2243-81-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
HazardClass: IRRITANT, IRRITANT-HARMFUL
HS Code: 2924297099 · 2924297099

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.