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773052-15-6 molecular structure
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2-(trimethyl-1H-pyrazol-1-yl)ethan-1-amine

ChemBase ID: 308997
Molecular Formular: C8H15N3
Molecular Mass: 153.2248
Monoisotopic Mass: 153.1265975
SMILES and InChIs

SMILES:
n1(nc(c(c1C)C)C)CCN
Canonical SMILES:
NCCn1nc(c(c1C)C)C
InChI:
InChI=1S/C8H15N3/c1-6-7(2)10-11(5-4-9)8(6)3/h4-5,9H2,1-3H3
InChIKey:
LZVMGQKKGYOOEM-UHFFFAOYSA-N

Cite this record

CBID:308997 http://www.chembase.cn/molecule-308997.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(trimethyl-1H-pyrazol-1-yl)ethan-1-amine
IUPAC Traditional name
2-(trimethylpyrazol-1-yl)ethanamine
Synonyms
2-(3,4,5-trimethyl-1H-pyrazol-1-yl)ethanamine
CAS Number
773052-15-6
MDL Number
MFCD07395637

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4035650 external link Add to cart
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) -2.553735  LogD (pH = 7.4) -1.7251443 
Log P 0.44847494  Molar Refractivity 57.6936 cm3
Polarizability 17.55068 Å3 Polar Surface Area 43.84 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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