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88267-97-4 molecular structure
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4-methyl-5,6,7,8-tetrahydroquinazolin-2-ol

ChemBase ID: 310036
Molecular Formular: C9H12N2O
Molecular Mass: 164.20438
Monoisotopic Mass: 164.09496301
SMILES and InChIs

SMILES:
c1(nc2c(c(n1)C)CCCC2)O
Canonical SMILES:
Oc1nc2CCCCc2c(n1)C
InChI:
InChI=1S/C9H12N2O/c1-6-7-4-2-3-5-8(7)11-9(12)10-6/h2-5H2,1H3,(H,10,11,12)
InChIKey:
SBWKGXYIVNLNHY-UHFFFAOYSA-N

Cite this record

CBID:310036 http://www.chembase.cn/molecule-310036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-5,6,7,8-tetrahydroquinazolin-2-ol
IUPAC Traditional name
4-methyl-5,6,7,8-tetrahydroquinazolin-2-ol
Synonyms
4-methyl-5,6,7,8-tetrahydro-2-quinazolinol
CAS Number
88267-97-4

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4045968 external link Add to cart
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) 1.8824928  LogD (pH = 7.4) 1.8824964 
Log P 1.8824965  Molar Refractivity 46.2991 cm3
Polarizability 17.402029 Å3 Polar Surface Area 46.01 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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