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6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
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ChemBase ID:
811238
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Molecular Formular:
C10H12BrN
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Molecular Mass:
226.11298
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Monoisotopic Mass:
225.01531139
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SMILES and InChIs
SMILES:
NC1CCc2c(ccc(c2)Br)C1
Canonical SMILES:
NC1CCc2c(C1)ccc(c2)Br
InChI:
InChI=1S/C10H12BrN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5,10H,2,4,6,12H2
InChIKey:
WMALPFDUOAVVMB-UHFFFAOYSA-N
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Cite this record
CBID:811238 http://www.chembase.cn/molecule-811238.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
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IUPAC Traditional name
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6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
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Synonyms
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6-BROMO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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-0.3187338
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LogD (pH = 7.4)
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0.2172245
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Log P
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2.7006524
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Molar Refractivity
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54.49 cm3
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Polarizability
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21.049292 Å3
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Polar Surface Area
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26.02 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
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98%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent