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92-54-6 molecular structure
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1-phenylpiperazine

ChemBase ID: 69606
Molecular Formular: C10H14N2
Molecular Mass: 162.23156
Monoisotopic Mass: 162.11569846
SMILES and InChIs

SMILES:
N1(CCNCC1)c1ccccc1
Canonical SMILES:
N1CCN(CC1)c1ccccc1
InChI:
InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
InChIKey:
YZTJYBJCZXZGCT-UHFFFAOYSA-N

Cite this record

CBID:69606 http://www.chembase.cn/molecule-69606.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenylpiperazine
IUPAC Traditional name
phenylpiperazine
Synonyms
1-Phenylpiperazine
N-Phenyldiethylenediamine
1-Phenylpiperazine
N-PHENYLPIPERAZINE
1-Phenylpiperazine
Phenylpiperazine
1-Phenyl-piperazine
N-苯基哌嗪
1-苯基哌嗪
CAS Number
92-54-6
63921-23-3
EC Number
202-165-6
MDL Number
MFCD00005957
Beilstein Number
132157
PubChem SID
162035332
24898377
PubChem CID
7096
CHEMBL
9434
Chemspider ID
6829
Wikipedia Title
Phenylpiperazine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4620405  LogD (pH = 7.4) 0.052540626 
Log P 1.5453613  Molar Refractivity 51.242 cm3
Polarizability 19.658602 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
insoluble in water expand Show data source
Apperance
clear colourless to yellow liquid expand Show data source
Melting Point
17-19°C expand Show data source
18.8 °C expand Show data source
18.8°C expand Show data source
Boiling Point
285-286°C expand Show data source
286 °C(lit.) expand Show data source
286°C expand Show data source
287.2°C @ 760mmHg expand Show data source
Flash Point
138.3°C expand Show data source
140 °C expand Show data source
140.5°C expand Show data source
141°C(286°F) expand Show data source
284 °F expand Show data source
Density
1.028g/cm3 expand Show data source
1.062 g/ml expand Show data source
1.062 g/mL at 25 °C(lit.) expand Show data source
1.064 expand Show data source
Refractive Index
1.5880 expand Show data source
n20/D 1.588(lit.) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
TM2625000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2922 expand Show data source
2927 expand Show data source
UN2927 expand Show data source
MSDS Link
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
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Australian Hazchem
2XE expand Show data source
Risk Statements
22-24-34 expand Show data source
R:22-27-34 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
S:26-28-29-36/37/39-45 expand Show data source
EU Classification
CT1 expand Show data source
EU Hazard Identification Number
8B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H310-H314-H318 expand Show data source
H301-H311-H314 expand Show data source
GHS Precautionary statements
P280H-P305+P351+P338-P361-P309-P310 expand Show data source
P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2922 8/PG 2 expand Show data source
Gene Information
mouse ... Htr3a(15561)rat ... Drd2(24318), Htr1a(24473) expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H14N2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02151844 external link
Purity: 99%
1 ml = approx. 1.06 g
Sigma Aldrich - P30004 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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