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82612-27-9 molecular structure
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1-ethyl-2-methyl-1H-1,3-benzodiazol-5-ol

ChemBase ID: 310613
Molecular Formular: C10H12N2O
Molecular Mass: 176.21508
Monoisotopic Mass: 176.09496301
SMILES and InChIs

SMILES:
n1c(n(c2c1cc(cc2)O)CC)C
Canonical SMILES:
CCn1c(C)nc2c1ccc(c2)O
InChI:
InChI=1S/C10H12N2O/c1-3-12-7(2)11-9-6-8(13)4-5-10(9)12/h4-6,13H,3H2,1-2H3
InChIKey:
NYOHOCQIVJTLKT-UHFFFAOYSA-N

Cite this record

CBID:310613 http://www.chembase.cn/molecule-310613.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-2-methyl-1H-1,3-benzodiazol-5-ol
IUPAC Traditional name
1-ethyl-2-methyl-1,3-benzodiazol-5-ol
Synonyms
1-ethyl-2-methyl-1H-benzimidazol-5-ol
CAS Number
82612-27-9
MDL Number
MFCD00159951

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6511262  LogD (pH = 7.4) 1.5768741 
Log P 1.6594875  Molar Refractivity 51.0354 cm3
Polarizability 20.62357 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

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