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1060817-05-1 molecular structure
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1-(1-propyl-1H-1,2,4-triazol-5-yl)ethan-1-amine

ChemBase ID: 308011
Molecular Formular: C7H14N4
Molecular Mass: 154.21286
Monoisotopic Mass: 154.12184647
SMILES and InChIs

SMILES:
c1(ncnn1CCC)C(N)C
Canonical SMILES:
CCCn1ncnc1C(N)C
InChI:
InChI=1S/C7H14N4/c1-3-4-11-7(6(2)8)9-5-10-11/h5-6H,3-4,8H2,1-2H3
InChIKey:
LRGLFDPIPHFWRJ-UHFFFAOYSA-N

Cite this record

CBID:308011 http://www.chembase.cn/molecule-308011.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1-propyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
IUPAC Traditional name
1-(2-propyl-1,2,4-triazol-3-yl)ethanamine
Synonyms
1-(1-propyl-1H-1,2,4-triazol-5-yl)ethanamine
CAS Number
1060817-05-1
MDL Number
MFCD11053902

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) -2.1702394  LogD (pH = 7.4) -0.49553162 
Log P 0.36161572  Molar Refractivity 55.7024 cm3
Polarizability 16.905733 Å3 Polar Surface Area 56.73 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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