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880361-81-9 molecular structure
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[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl](methyl)amine

ChemBase ID: 306855
Molecular Formular: C8H15N3
Molecular Mass: 153.2248
Monoisotopic Mass: 153.1265975
SMILES and InChIs

SMILES:
n1(nc(cc1C)C)CCNC
Canonical SMILES:
CNCCn1nc(cc1C)C
InChI:
InChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-4-9-3/h6,9H,4-5H2,1-3H3
InChIKey:
FWJJGNBLVKMBKU-UHFFFAOYSA-N

Cite this record

CBID:306855 http://www.chembase.cn/molecule-306855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl](methyl)amine
IUPAC Traditional name
[2-(3,5-dimethylpyrazol-1-yl)ethyl](methyl)amine
Synonyms
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methylethanamine
CAS Number
880361-81-9
MDL Number
MFCD08144078

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8360453  LogD (pH = 7.4) -1.937002 
Log P 0.36763394  Molar Refractivity 57.427 cm3
Polarizability 17.628962 Å3 Polar Surface Area 29.85 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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