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1018284-46-2 molecular structure
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3-(4-aminophenyl)-N,N-dimethylpropanamide

ChemBase ID: 32197
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
C(=O)(N(C)C)CCc1ccc(N)cc1
Canonical SMILES:
CN(C(=O)CCc1ccc(cc1)N)C
InChI:
InChI=1S/C11H16N2O/c1-13(2)11(14)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,5,8,12H2,1-2H3
InChIKey:
CPXLIHMIUJEFPO-UHFFFAOYSA-N

Cite this record

CBID:32197 http://www.chembase.cn/molecule-32197.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-aminophenyl)-N,N-dimethylpropanamide
IUPAC Traditional name
3-(4-aminophenyl)-N,N-dimethylpropanamide
Synonyms
3-(4-Aminophenyl)-N,N-dimethylpropanamide
CAS Number
1018284-46-2
MDL Number
MFCD10022146
PubChem SID
160995504
PubChem CID
20094447

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 20094447 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.83211064  LogD (pH = 7.4) 0.86658835 
Log P 0.86704636  Molar Refractivity 58.2826 cm3
Polarizability 21.88304 Å3 Polar Surface Area 46.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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