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919347-92-5 molecular structure
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[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine

ChemBase ID: 310379
Molecular Formular: C7H13N3
Molecular Mass: 139.19822
Monoisotopic Mass: 139.11094743
SMILES and InChIs

SMILES:
c1(c([nH]nc1C)C)CNC
Canonical SMILES:
CNCc1c(C)n[nH]c1C
InChI:
InChI=1S/C7H13N3/c1-5-7(4-8-3)6(2)10-9-5/h8H,4H2,1-3H3,(H,9,10)
InChIKey:
FGGCEAQMRNSHCC-UHFFFAOYSA-N

Cite this record

CBID:310379 http://www.chembase.cn/molecule-310379.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
IUPAC Traditional name
[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
Synonyms
1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine
CAS Number
919347-92-5
MDL Number
MFCD08059259

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) -2.9360552  LogD (pH = 7.4) -1.5883708 
Log P 0.16671012  Molar Refractivity 42.7346 cm3
Polarizability 15.863723 Å3 Polar Surface Area 40.71 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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