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MFCD03419811 molecular structure
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methyl[(1-methyl-1H-pyrazol-3-yl)methyl]amine

ChemBase ID: 90844
Molecular Formular: C6H11N3
Molecular Mass: 125.17164
Monoisotopic Mass: 125.09529737
SMILES and InChIs

SMILES:
n1c(ccn1C)CNC
Canonical SMILES:
CNCc1ccn(n1)C
InChI:
InChI=1S/C6H11N3/c1-7-5-6-3-4-9(2)8-6/h3-4,7H,5H2,1-2H3
InChIKey:
BJOZTPFIJGKTJI-UHFFFAOYSA-N

Cite this record

CBID:90844 http://www.chembase.cn/molecule-90844.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(1-methyl-1H-pyrazol-3-yl)methyl]amine
IUPAC Traditional name
methyl[(1-methylpyrazol-3-yl)methyl]amine
Synonyms
N-Methyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]amine
1-Methyl-3-[(methylamino)methyl]-1H-pyrazole 97%
MDL Number
MFCD03419811
PubChem SID
162077553
PubChem CID
7019424

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6208 external link Add to cart Please log in.
Data Source Data ID
PubChem 7019424 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6287134  LogD (pH = 7.4) -0.91214305 
Log P 0.040926594  Molar Refractivity 47.6872 cm3
Polarizability 14.100967 Å3 Polar Surface Area 29.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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