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56042-77-4 molecular structure
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2-(dimethylamino)benzamide

ChemBase ID: 293034
Molecular Formular: C9H12N2O
Molecular Mass: 164.20438
Monoisotopic Mass: 164.09496301
SMILES and InChIs

SMILES:
CN(C)c1c(cccc1)C(=O)N
Canonical SMILES:
NC(=O)c1ccccc1N(C)C
InChI:
InChI=1S/C9H12N2O/c1-11(2)8-6-4-3-5-7(8)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChIKey:
KTAOWCOLDQWGHV-UHFFFAOYSA-N

Cite this record

CBID:293034 http://www.chembase.cn/molecule-293034.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethylamino)benzamide
IUPAC Traditional name
2-(dimethylamino)benzamide
Synonyms
2-(Dimethylamino)benzamide
CAS Number
56042-77-4
PubChem SID
180678565
PubChem CID
22478068

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241926 Please log in.
Data Source Data ID
PubChem 22478068 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.882129  H Acceptors
H Donor LogD (pH = 5.5) 0.931552 
LogD (pH = 7.4) 0.93192524  Log P 0.93192995 
Molar Refractivity 49.565 cm3 Polarizability 17.98098 Å3
Polar Surface Area 46.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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