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7546-48-7 molecular structure
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dimethyl({2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}methyl)amine

ChemBase ID: 63493
Molecular Formular: C11H15N3
Molecular Mass: 189.2569
Monoisotopic Mass: 189.1265975
SMILES and InChIs

SMILES:
CN(Cc1c(C)[nH]c2c1cccn2)C
Canonical SMILES:
CN(Cc1c(C)[nH]c2c1cccn2)C
InChI:
InChI=1S/C11H15N3/c1-8-10(7-14(2)3)9-5-4-6-12-11(9)13-8/h4-6H,7H2,1-3H3,(H,12,13)
InChIKey:
SBAZYDCUVATMSB-UHFFFAOYSA-N

Cite this record

CBID:63493 http://www.chembase.cn/molecule-63493.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl({2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}methyl)amine
IUPAC Traditional name
dimethyl({2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}methyl)amine
Synonyms
N,N-Dimethyl(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
CAS Number
7546-48-7
MDL Number
MFCD13191648
PubChem SID
162029232
PubChem CID
19916801

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068811 external link Add to cart Please log in.
Data Source Data ID
PubChem 19916801 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.485964  H Acceptors
H Donor LogD (pH = 5.5) -1.9433702 
LogD (pH = 7.4) -0.4775372  Log P 1.3627555 
Molar Refractivity 58.6326 cm3 Polarizability 22.816002 Å3
Polar Surface Area 31.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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