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65369-76-8 molecular structure
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1-(3-chlorophenyl)piperazine hydrochloride

ChemBase ID: 34690
Molecular Formular: C10H14Cl2N2
Molecular Mass: 233.13756
Monoisotopic Mass: 232.05340382
SMILES and InChIs

SMILES:
N1(c2cc(Cl)ccc2)CCNCC1.Cl
Canonical SMILES:
Clc1cccc(c1)N1CCNCC1.Cl
InChI:
InChI=1S/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H
InChIKey:
MHXPYWFZULXYHT-UHFFFAOYSA-N

Cite this record

CBID:34690 http://www.chembase.cn/molecule-34690.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-chlorophenyl)piperazine hydrochloride
IUPAC Traditional name
m-chlorophenylpiperazine hydrochloride
Synonyms
1-(3-Chlorophenyl)piperazine hydrochloride
m-CPP
1-(3-Chlorophenyl)piperazine hydrochloride
1-(m-Chlorophenyl)piperazine Hydrochloride
4-(3-Chlorophenyl)piperazine Hydrochloride
N-(3-Chlorophenyl)piperazine Hydrochloride
N-(m-Chlorophenyl)piperazine Hydrochloride
mCPP Hydrochloride
1-(3-Chlorophenyl)piperazinehydrochloride
1-(3-Chlorophenyl)piperazine monohydrochloride
1-(3-Chlorophenyl)piperazine hydrochloride
1-(m-CHLOROPHENYL) PIPERAZINE HYDROCHLORIDE
1-(3-氯苯基)哌嗪 盐酸盐
1-(3-氯苯基)哌嗪盐酸盐
CAS Number
65369-76-8
13078-15-4
EC Number
265-718-0
235-976-9
MDL Number
MFCD00012764
MFCD00039032
Beilstein Number
4768691
PubChem SID
24847652
160997997
PubChem CID
25681

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8511092  LogD (pH = 7.4) 0.6721104 
Log P 2.149406  Molar Refractivity 56.0468 cm3
Polarizability 21.49175 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
210-214 °C (dec.)(lit.) expand Show data source
210-214°C dec. expand Show data source
214-216°C (dec.) expand Show data source
ca 214°C dec. expand Show data source
Storage Condition
Refrigerator expand Show data source
Room Temperature (15-30°C) expand Show data source
Storage Warning
Hygroscopic expand Show data source
IRRITANT expand Show data source
RTECS
TL2833500 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
22-36/37/38 expand Show data source
25-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37-45 expand Show data source
26-36/37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Gene Information
rat ... Htr1a(24473) expand Show data source
Purity
~97% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Salt Data
HCl expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C10H13ClN2 · xHCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02150651 external link
Hydrochloride
Purity: ~97%
5-HT1 serotonin receptor agonist.
Sigma Aldrich - 125180 external link
Biochem/physiol Actions
5-HT2c serotonin receptor agonist; metabolite of trazodone.
Packaging
5, 25 g in glass bottle
Toronto Research Chemicals - C379591 external link
The major metabolite of Trazodone (T718500), Nefazodone (N389100), and Etoperidone (E933680).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Melzacka, M., et al.: Pol. J. Pharmacol Pharm., 32, 551 (1980)
  • • Fong, M.H., et al.: J. Pharm. Pharmacol., 34, 674 (1980)
  • • Fiorella, D., et al.: Psychopharmacology, 119, 220 (1980)
  • • Maes, M., et al.: J. Clin. Psychopharmacol., 17, 358 (1980)
  • • Bo Wen, et al
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PATENTS

PATENTS

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INTERNET

INTERNET

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