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24167-50-8 molecular structure
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4-cyano-N,N-dimethylbenzamide

ChemBase ID: 253396
Molecular Formular: C10H10N2O
Molecular Mass: 174.1992
Monoisotopic Mass: 174.07931295
SMILES and InChIs

SMILES:
C(=O)(c1ccc(C#N)cc1)N(C)C
Canonical SMILES:
CN(C(=O)c1ccc(cc1)C#N)C
InChI:
InChI=1S/C10H10N2O/c1-12(2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,1-2H3
InChIKey:
CPSNYKXHMCDALW-UHFFFAOYSA-N

Cite this record

CBID:253396 http://www.chembase.cn/molecule-253396.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyano-N,N-dimethylbenzamide
IUPAC Traditional name
4-cyano-N,N-dimethylbenzamide
Synonyms
4-cyano-N,N-dimethylbenzamide
CAS Number
24167-50-8
MDL Number
MFCD07186293
PubChem SID
164309306
PubChem CID
16227796

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-27021 external link Add to cart Please log in.
Data Source Data ID
PubChem 16227796 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1273342  LogD (pH = 7.4) 1.1273345 
Log P 1.1273345  Molar Refractivity 50.6514 cm3
Polarizability 18.671173 Å3 Polar Surface Area 44.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
93 - 95°C expand Show data source
Hydrophobicity(logP)
0.215 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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