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347406-07-9 molecular structure
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[(4-bromophenyl)methyl](2-methylpropyl)amine

ChemBase ID: 307713
Molecular Formular: C11H16BrN
Molecular Mass: 242.15544
Monoisotopic Mass: 241.04661152
SMILES and InChIs

SMILES:
N(Cc1ccc(Br)cc1)CC(C)C
Canonical SMILES:
CC(CNCc1ccc(cc1)Br)C
InChI:
InChI=1S/C11H16BrN/c1-9(2)7-13-8-10-3-5-11(12)6-4-10/h3-6,9,13H,7-8H2,1-2H3
InChIKey:
ZAZUAQYXVDICRO-UHFFFAOYSA-N

Cite this record

CBID:307713 http://www.chembase.cn/molecule-307713.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-bromophenyl)methyl](2-methylpropyl)amine
IUPAC Traditional name
[(4-bromophenyl)methyl](2-methylpropyl)amine
Synonyms
(4-bromobenzyl)isobutylamine
CAS Number
347406-07-9
MDL Number
MFCD04538891

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) 0.32831383  LogD (pH = 7.4) 1.0680195 
Log P 3.5446506  Molar Refractivity 60.673 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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