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13754-45-5 molecular structure
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1-(2-chlorobenzoyl)piperazine hydrochloride

ChemBase ID: 241927
Molecular Formular: C11H14Cl2N2O
Molecular Mass: 261.14766
Monoisotopic Mass: 260.04831844
SMILES and InChIs

SMILES:
C(=O)(c1c(Cl)cccc1)N1CCNCC1.Cl
Canonical SMILES:
Clc1ccccc1C(=O)N1CCNCC1.Cl
InChI:
InChI=1S/C11H13ClN2O.ClH/c12-10-4-2-1-3-9(10)11(15)14-7-5-13-6-8-14;/h1-4,13H,5-8H2;1H
InChIKey:
DNSJPAKXQUGKEV-UHFFFAOYSA-N

Cite this record

CBID:241927 http://www.chembase.cn/molecule-241927.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-chlorobenzoyl)piperazine hydrochloride
IUPAC Traditional name
1-(2-chlorobenzoyl)piperazine hydrochloride
Synonyms
1-(2-chlorobenzoyl)piperazine hydrochloride
CAS Number
13754-45-5
MDL Number
MFCD08445283
PubChem SID
164297837
PubChem CID
15618580

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-11504 external link Add to cart Please log in.
Data Source Data ID
PubChem 15618580 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.93465626  LogD (pH = 7.4) 0.7792338 
Log P 1.3393545  Molar Refractivity 60.49 cm3
Polarizability 23.216047 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
243 - 245°C expand Show data source
Hydrophobicity(logP)
1.547 expand Show data source
Purity
95% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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