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1177284-86-4 molecular structure
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2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine

ChemBase ID: 307932
Molecular Formular: C7H13N3O
Molecular Mass: 155.19762
Monoisotopic Mass: 155.10586205
SMILES and InChIs

SMILES:
c1(n(ncc1)C)C(N)COC
Canonical SMILES:
COCC(c1ccnn1C)N
InChI:
InChI=1S/C7H13N3O/c1-10-7(3-4-9-10)6(8)5-11-2/h3-4,6H,5,8H2,1-2H3
InChIKey:
GVXSNDGQVGYILF-UHFFFAOYSA-N

Cite this record

CBID:307932 http://www.chembase.cn/molecule-307932.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
IUPAC Traditional name
2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
Synonyms
2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethanamine
CAS Number
1177284-86-4
MDL Number
MFCD09864443

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -3.154151  LogD (pH = 7.4) -1.5070665 
Log P -0.54033303  Molar Refractivity 54.026 cm3
Polarizability 16.641827 Å3 Polar Surface Area 53.07 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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