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355815-55-3 molecular structure
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[(3-bromophenyl)methyl](1-methoxypropan-2-yl)amine

ChemBase ID: 310865
Molecular Formular: C11H16BrNO
Molecular Mass: 258.15484
Monoisotopic Mass: 257.04152614
SMILES and InChIs

SMILES:
N(Cc1cc(Br)ccc1)C(COC)C
Canonical SMILES:
COCC(NCc1cccc(c1)Br)C
InChI:
InChI=1S/C11H16BrNO/c1-9(8-14-2)13-7-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChIKey:
LOIYEWCWRYTAQB-UHFFFAOYSA-N

Cite this record

CBID:310865 http://www.chembase.cn/molecule-310865.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-bromophenyl)methyl](1-methoxypropan-2-yl)amine
IUPAC Traditional name
[(3-bromophenyl)methyl](1-methoxypropan-2-yl)amine
Synonyms
(3-bromobenzyl)(2-methoxy-1-methylethyl)amine
CAS Number
355815-55-3
MDL Number
MFCD01454507

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) -0.39895836  LogD (pH = 7.4) 1.0197136 
Log P 2.6699467  Molar Refractivity 62.3911 cm3
Polarizability 24.470543 Å3 Polar Surface Area 21.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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