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1177323-84-0 molecular structure
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2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethan-1-amine

ChemBase ID: 307496
Molecular Formular: C7H14N4O
Molecular Mass: 170.21226
Monoisotopic Mass: 170.11676109
SMILES and InChIs

SMILES:
n1(c(nnc1)CCN)CCOC
Canonical SMILES:
COCCn1cnnc1CCN
InChI:
InChI=1S/C7H14N4O/c1-12-5-4-11-6-9-10-7(11)2-3-8/h6H,2-5,8H2,1H3
InChIKey:
UDDWWGUGJHFXFR-UHFFFAOYSA-N

Cite this record

CBID:307496 http://www.chembase.cn/molecule-307496.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethan-1-amine
IUPAC Traditional name
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
Synonyms
2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethanamine
CAS Number
1177323-84-0
MDL Number
MFCD09971187

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.4865675  LogD (pH = 7.4) -3.5914001 
Log P -1.4930277  Molar Refractivity 47.669 cm3
Polarizability 17.556736 Å3 Polar Surface Area 65.96 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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