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5470-34-8 molecular structure
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N-(4-methoxyphenyl)formamide

ChemBase ID: 139530
Molecular Formular: C8H9NO2
Molecular Mass: 151.16256
Monoisotopic Mass: 151.06332853
SMILES and InChIs

SMILES:
COc1ccc(cc1)NC=O
Canonical SMILES:
COc1ccc(cc1)NC=O
InChI:
InChI=1S/C8H9NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-6H,1H3,(H,9,10)
InChIKey:
SXEVZVMJNXOXIJ-UHFFFAOYSA-N

Cite this record

CBID:139530 http://www.chembase.cn/molecule-139530.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-methoxyphenyl)formamide
IUPAC Traditional name
p-methoxyformanilde
Synonyms
N-(4-Methoxyphenyl)formamide
4'-甲氧基甲酰苯胺
CAS Number
5470-34-8
EC Number
226-802-2
MDL Number
MFCD00086774
PubChem SID
162233778
24881429
PubChem CID
79616

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
593249 external link Add to cart Please log in.
Data Source Data ID
PubChem 79616 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.999465  H Acceptors
H Donor LogD (pH = 5.5) 1.0045862 
LogD (pH = 7.4) 1.0045862  Log P 1.0045862 
Molar Refractivity 42.8937 cm3 Polarizability 15.886515 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
78-82 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C8H9NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 593249 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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