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4423-74-9 molecular structure
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N-(naphthalen-2-yl)formamide

ChemBase ID: 139395
Molecular Formular: C11H9NO
Molecular Mass: 171.19526
Monoisotopic Mass: 171.06841391
SMILES and InChIs

SMILES:
c1ccc2cc(ccc2c1)NC=O
Canonical SMILES:
O=CNc1ccc2c(c1)cccc2
InChI:
InChI=1S/C11H9NO/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,12,13)
InChIKey:
AULBLBYDAHRCLF-UHFFFAOYSA-N

Cite this record

CBID:139395 http://www.chembase.cn/molecule-139395.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(naphthalen-2-yl)formamide
IUPAC Traditional name
N-(naphthalen-2-yl)formamide
Synonyms
N-(2-Naphthyl)formamide
N-(2-萘基)甲酰胺
CAS Number
4423-74-9
MDL Number
MFCD00053435
PubChem SID
162233643
24881456
PubChem CID
96005

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
593575 external link Add to cart Please log in.
Data Source Data ID
PubChem 96005 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.04614  H Acceptors
H Donor LogD (pH = 5.5) 2.151734 
LogD (pH = 7.4) 2.151734  Log P 2.151734 
Molar Refractivity 52.8807 cm3 Polarizability 20.931128 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
126-130 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36-42/43 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H317-H319 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C11H9NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 593575 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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