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Molecule
ID:18733
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₇H₂₀N₂
Molecular Mass
252.3541
Exact Mass
252.16264865
Charge
0
InChI
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
InChIKey
NWVNXDKZIQLBNM-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
N1(C(c2ccccc2)c2ccccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.11444532
LogD (pH = 7.4)
1.2402861
Log P
3.1629543
Molar Refractivity
79.6389
Polarizability
31.544624
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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RDKit
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IUPAC name
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IUPAC Traditional name
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Synonyms
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Properties
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Safety Information
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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Wikipedia
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Sigma Aldrich
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TRC
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR6872
InterBioScreen
BB_SC-6458
Matrix Scientific
020907
Sigma Aldrich
43124
TRC
B196950
Alfa Aesar
L11530
Bide Pharmatech
BD16720
A&J Pharmtech
AJA-O38608
Academic Data
Wikipedia
Diphenylmethylpiperazine
PubChem
70048
Names and Identifiers
IUPAC name
1-(diphenylmethyl)piperazine
IUPAC Traditional name
diphenylmethylpiperazine
Synonyms
1-Benzhydrylpiperazine 97%
Diphenylmethylpiperazine
1-benzhydrylpiperazine
1-benzhydrylpiperazine
1-Benzhydryl-piperazine
N-Benzhydrylpiperazine
NSC 35536
4-(Diphenylmethyl)piperazine
1-(Diphenylmethyl)piperazine
4-Benzhydrylpiperazine
1-(Diphenylmethyl)piperazine
1-二苯甲基哌嗪
Norcyclizine
1-(二苯基甲基)哌嗪
N-(Diphenylmethyl)piperazine
Benzhydrylpiperazine
1-Benzhydrylpiperazine
1-二苯甲基哌嗪
1-(DIPHENYLMETHYL)PIPERAZINE
Registration numbers
MDL Number
MFCD00038379
CAS Number
841-77-0
Chemspider ID
63238
PubChem CID
70048
EC Number
212-667-7
Wikipedia Title
Diphenylmethylpiperazine
Beilstein Number
222773
PubChem SID
24866999
160982040
Molecule Details
Wikipedia
Diphenylmethylpiperazine
Sigma Aldrich
43124
Application
Intermediate used in drug synthesis
Packaging
100 g in poly bottle
TRC
B196950
Cinnarizine (C465300) impurity.
References
PubChem Literature
From Data Sources
•
Pandey, A., et al.: J. Pharm. Biomed. Anal., 20, 203 (2004)
•
Zhang, H., et al.: Biochemistry, 43, 8290 (2004)
•
Andrews, S., et al.: J. Med. Chem., 53, 916 (2004)
Bioactivity
PubChem BioAssay
Registration numbers
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MDL Number
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CAS Number
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Chemspider ID
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PubChem CID
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EC Number
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Wikipedia Title
•
Beilstein Number
•
PubChem SID
Properties
Safety Information
Storage Warning
IRRITANT
Source
Irritant
Source
Air Sensitive
Source
TSCA Listed
false
Source
否
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
German water hazard class
3
Source
GHS Signal Word
Warning
Source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
RTECS
TL6465000
Source
GHS Hazard statements
H302
Source
H302
-
H332
-
H315
-
H319
-
H335
Source
European Hazard Symbols
Harmful (X)
Source
Risk Statements
20/22
-
36/37/38
Source
Safety Statements
26
-
36/37
Source
GHS Precautionary statements
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
Physical Property
Melting Point
85-88°C
Source
90-93°C
Source
91-92°C
Source
Flash Point
115 °C
Source
239 °F
Source
Solubility
Methanol
Source
DMSO
Source
Off-White Solid
Source
Product Information
Purity
≥98.0% (NT)
Source
97%
Source
98%
Source
Empirical Formula (Hill Notation)
C17H20N2
Source
Impurities
≤5.0% water
Source
Certificate of Analysis
Download link
Source
Apperance