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1172384-23-4 molecular structure
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2-(1H-pyrazol-1-yl)propan-1-amine

ChemBase ID: 308260
Molecular Formular: C6H11N3
Molecular Mass: 125.17164
Monoisotopic Mass: 125.09529737
SMILES and InChIs

SMILES:
n1(nccc1)C(CN)C
Canonical SMILES:
NCC(n1cccn1)C
InChI:
InChI=1S/C6H11N3/c1-6(5-7)9-4-2-3-8-9/h2-4,6H,5,7H2,1H3
InChIKey:
GQZZHLYLVWFBAY-UHFFFAOYSA-N

Cite this record

CBID:308260 http://www.chembase.cn/molecule-308260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1H-pyrazol-1-yl)propan-1-amine
IUPAC Traditional name
2-(pyrazol-1-yl)propan-1-amine
Synonyms
2-(1H-pyrazol-1-yl)-1-propanamine
CAS Number
1172384-23-4
MDL Number
MFCD10001523

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) -2.9821696  LogD (pH = 7.4) -2.1851015 
Log P 0.020697089  Molar Refractivity 47.33 cm3
Polarizability 14.103841 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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