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2603-10-3 molecular structure
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methyl N-phenylcarbamate

ChemBase ID: 251065
Molecular Formular: C8H9NO2
Molecular Mass: 151.16256
Monoisotopic Mass: 151.06332853
SMILES and InChIs

SMILES:
C(=O)(Nc1ccccc1)OC
Canonical SMILES:
COC(=O)Nc1ccccc1
InChI:
InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey:
IAGUPODHENSJEZ-UHFFFAOYSA-N

Cite this record

CBID:251065 http://www.chembase.cn/molecule-251065.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl N-phenylcarbamate
IUPAC Traditional name
methyl N-phenylcarbamate
Synonyms
methyl N-phenylcarbamate
CAS Number
2603-10-3
MDL Number
MFCD00027552
PubChem SID
164306975
PubChem CID
17451

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-16865 external link Add to cart Please log in.
Data Source Data ID
PubChem 17451 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.056842  H Acceptors
H Donor LogD (pH = 5.5) 1.8302473 
LogD (pH = 7.4) 1.8302464  Log P 1.8302473 
Molar Refractivity 42.5446 cm3 Polarizability 15.901345 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
46 - 48°C expand Show data source
Hydrophobicity(logP)
1.611 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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