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1002651-65-1 molecular structure
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[(1-ethyl-1H-pyrazol-3-yl)methyl](methyl)amine

ChemBase ID: 308373
Molecular Formular: C7H13N3
Molecular Mass: 139.19822
Monoisotopic Mass: 139.11094743
SMILES and InChIs

SMILES:
n1n(ccc1CNC)CC
Canonical SMILES:
CNCc1ccn(n1)CC
InChI:
InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3
InChIKey:
BBWULNDJJUENCE-UHFFFAOYSA-N

Cite this record

CBID:308373 http://www.chembase.cn/molecule-308373.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1-ethyl-1H-pyrazol-3-yl)methyl](methyl)amine
IUPAC Traditional name
[(1-ethylpyrazol-3-yl)methyl](methyl)amine
Synonyms
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CAS Number
1002651-65-1
MDL Number
MFCD03419813

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) -2.2704694  LogD (pH = 7.4) -0.5535994 
Log P 0.39773455  Molar Refractivity 52.4358 cm3
Polarizability 15.943332 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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