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60509-40-2 molecular structure
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[(4-bromophenyl)methyl](butyl)amine

ChemBase ID: 307714
Molecular Formular: C11H16BrN
Molecular Mass: 242.15544
Monoisotopic Mass: 241.04661152
SMILES and InChIs

SMILES:
c1(Br)ccc(cc1)CNCCCC
Canonical SMILES:
CCCCNCc1ccc(cc1)Br
InChI:
InChI=1S/C11H16BrN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3
InChIKey:
MCNOIXPMJHKLAK-UHFFFAOYSA-N

Cite this record

CBID:307714 http://www.chembase.cn/molecule-307714.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-bromophenyl)methyl](butyl)amine
IUPAC Traditional name
[(4-bromophenyl)methyl](butyl)amine
Synonyms
(4-bromobenzyl)butylamine
CAS Number
60509-40-2
MDL Number
MFCD07409923

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4022325 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) 0.41700783  LogD (pH = 7.4) 1.2629708 
Log P 3.6242464  Molar Refractivity 60.8024 cm3
Polarizability 23.737913 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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