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150869-52-6 molecular structure
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[(4-bromophenyl)methyl](propyl)amine

ChemBase ID: 307710
Molecular Formular: C10H14BrN
Molecular Mass: 228.12886
Monoisotopic Mass: 227.03096145
SMILES and InChIs

SMILES:
c1(Br)ccc(cc1)CNCCC
Canonical SMILES:
CCCNCc1ccc(cc1)Br
InChI:
InChI=1S/C10H14BrN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3
InChIKey:
LLWHQBWJJQFTPF-UHFFFAOYSA-N

Cite this record

CBID:307710 http://www.chembase.cn/molecule-307710.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-bromophenyl)methyl](propyl)amine
IUPAC Traditional name
[(4-bromophenyl)methyl](propyl)amine
Synonyms
(4-bromobenzyl)propylamine
CAS Number
150869-52-6
MDL Number
MFCD04592181

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) -0.026352378  LogD (pH = 7.4) 0.8317944 
Log P 3.1796777  Molar Refractivity 56.2014 cm3
Polarizability 21.90666 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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