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32570-93-7 molecular structure
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1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

ChemBase ID: 311572
Molecular Formular: C15H18N2O
Molecular Mass: 242.31622
Monoisotopic Mass: 242.14191321
SMILES and InChIs

SMILES:
n1(c(cc(c1C)C=O)C)c1ccc(N(C)C)cc1
Canonical SMILES:
O=Cc1cc(n(c1C)c1ccc(cc1)N(C)C)C
InChI:
InChI=1S/C15H18N2O/c1-11-9-13(10-18)12(2)17(11)15-7-5-14(6-8-15)16(3)4/h5-10H,1-4H3
InChIKey:
XBBUEQVVPOQCIN-UHFFFAOYSA-N

Cite this record

CBID:311572 http://www.chembase.cn/molecule-311572.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
IUPAC Traditional name
1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carbaldehyde
Synonyms
1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS Number
32570-93-7
MDL Number
MFCD02629364

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 6491933 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2118301  LogD (pH = 7.4) 3.1136873 
Log P 3.1544333  Molar Refractivity 87.1224 cm3
Polarizability 28.573925 Å3 Polar Surface Area 25.24 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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