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1227465-54-4 molecular structure
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(1-cyclopropyl-1H-imidazol-5-yl)methanol

ChemBase ID: 309395
Molecular Formular: C7H10N2O
Molecular Mass: 138.1671
Monoisotopic Mass: 138.07931295
SMILES and InChIs

SMILES:
n1(c(cnc1)CO)C1CC1
Canonical SMILES:
OCc1cncn1C1CC1
InChI:
InChI=1S/C7H10N2O/c10-4-7-3-8-5-9(7)6-1-2-6/h3,5-6,10H,1-2,4H2
InChIKey:
ACXJTLNSCOMIMP-UHFFFAOYSA-N

Cite this record

CBID:309395 http://www.chembase.cn/molecule-309395.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-cyclopropyl-1H-imidazol-5-yl)methanol
IUPAC Traditional name
(3-cyclopropylimidazol-4-yl)methanol
Synonyms
(1-cyclopropyl-1H-imidazol-5-yl)methanol
CAS Number
1227465-54-4
MDL Number
MFCD14702914

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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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.74578446  LogD (pH = 7.4) -0.32711065 
Log P -0.30333224  Molar Refractivity 37.8141 cm3
Polarizability 14.326395 Å3 Polar Surface Area 38.05 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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