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510725-48-1 molecular structure
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1-[(4-bromophenyl)methyl]piperazine hydrochloride

ChemBase ID: 797173
Molecular Formular: C11H16BrClN2
Molecular Mass: 291.61514
Monoisotopic Mass: 290.0185382
SMILES and InChIs

SMILES:
Cl.C1CNCCN1Cc1ccc(cc1)Br
Canonical SMILES:
Brc1ccc(cc1)CN1CCNCC1.Cl
InChI:
InChI=1S/C11H15BrN2.ClH/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;/h1-4,13H,5-9H2;1H
InChIKey:
GBFYODBHQSMYIV-UHFFFAOYSA-N

Cite this record

CBID:797173 http://www.chembase.cn/molecule-797173.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(4-bromophenyl)methyl]piperazine hydrochloride
IUPAC Traditional name
1-[(4-bromophenyl)methyl]piperazine hydrochloride
Synonyms
1-(4-BroMobenzyl)piperazine hydrochloride
CAS Number
510725-48-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6139 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O6139 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.97114766  LogD (pH = 7.4) 0.34217212 
Log P 2.147467  Molar Refractivity 62.9789 cm3
Polarizability 24.5523 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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