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60509-39-9 molecular structure
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[(3-bromophenyl)methyl](butyl)amine

ChemBase ID: 312483
Molecular Formular: C11H16BrN
Molecular Mass: 242.15544
Monoisotopic Mass: 241.04661152
SMILES and InChIs

SMILES:
c1c(Br)cccc1CNCCCC
Canonical SMILES:
CCCCNCc1cccc(c1)Br
InChI:
InChI=1S/C11H16BrN/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8,13H,2-3,7,9H2,1H3
InChIKey:
WBAYBKZTZNUUAS-UHFFFAOYSA-N

Cite this record

CBID:312483 http://www.chembase.cn/molecule-312483.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-bromophenyl)methyl](butyl)amine
IUPAC Traditional name
[(3-bromophenyl)methyl](butyl)amine
Synonyms
(3-bromobenzyl)butylamine
CAS Number
60509-39-9
MDL Number
MFCD07409983

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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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.41938308  LogD (pH = 7.4) 1.2889436 
Log P 3.6242464  Molar Refractivity 60.8024 cm3
Polarizability 23.73794 Å3 Polar Surface Area 12.03 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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