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70251-03-5 molecular structure
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benzyl[(3-bromophenyl)methyl]amine

ChemBase ID: 311590
Molecular Formular: C14H14BrN
Molecular Mass: 276.17166
Monoisotopic Mass: 275.03096145
SMILES and InChIs

SMILES:
N(Cc1cc(Br)ccc1)Cc1ccccc1
Canonical SMILES:
Brc1cccc(c1)CNCc1ccccc1
InChI:
InChI=1S/C14H14BrN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2
InChIKey:
PVXFHGJZYYWYQI-UHFFFAOYSA-N

Cite this record

CBID:311590 http://www.chembase.cn/molecule-311590.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl[(3-bromophenyl)methyl]amine
IUPAC Traditional name
benzyl[(3-bromophenyl)methyl]amine
Synonyms
N-benzyl-1-(3-bromophenyl)methanamine
CAS Number
70251-03-5
MDL Number
MFCD02026596

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) 0.9794568  LogD (pH = 7.4) 2.4394028 
Log P 4.0248203  Molar Refractivity 71.5414 cm3
Polarizability 27.7811 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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