1-Naphthalene carboxamide

1-Naphthalene carboxamide
Compound Structure:
Synonyms: 1-Naphthamide;1-Naphthalenecarboxamide;naphthalene-1-carboxamide;1-Naphthalimide;naphthalenecarboxamide;1-Naphthylamide;naphthalene-1-carboxylic acid amide
Compound ID: NMPC-102
PubChem ID:

75244

Molecular Formula: C11H9NO
Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)N
InChIKey: RMHJJUOPOWPRBP-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

171.19 g/mol

XLogP3

2.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

171.068413911 g/mol

Monoisotopic Mass

171.068413911 g/mol

Topological Polar Surface Area

43.1Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

202

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Solubility 

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

Source: PubChem

Source Species: Piper guineense
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