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6083-47-2 molecular structure
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4-(dimethylamino)benzamide

ChemBase ID: 271537
Molecular Formular: C9H12N2O
Molecular Mass: 164.20438
Monoisotopic Mass: 164.09496301
SMILES and InChIs

SMILES:
C(=O)(c1ccc(N(C)C)cc1)N
Canonical SMILES:
CN(c1ccc(cc1)C(=O)N)C
InChI:
InChI=1S/C9H12N2O/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChIKey:
NWIDZTRKSULSGB-UHFFFAOYSA-N

Cite this record

CBID:271537 http://www.chembase.cn/molecule-271537.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(dimethylamino)benzamide
IUPAC Traditional name
P-dimethylaminobenzamide
Synonyms
4-(dimethylamino)benzamide
CAS Number
6083-47-2
MDL Number
MFCD01216782
PubChem SID
164327447
PubChem CID
596365

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 596365 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.278957  H Acceptors
H Donor LogD (pH = 5.5) 0.9274684 
LogD (pH = 7.4) 0.9318735  Log P 0.93192995 
Molar Refractivity 49.565 cm3 Polarizability 17.979025 Å3
Polar Surface Area 46.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
207 - 209°C expand Show data source
Hydrophobicity(logP)
1.015 expand Show data source
Purity
95% expand Show data source
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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