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150-61-8 molecular structure
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N-[2-(phenylamino)ethyl]aniline

ChemBase ID: 104898
Molecular Formular: C14H16N2
Molecular Mass: 212.29024
Monoisotopic Mass: 212.13134852
SMILES and InChIs

SMILES:
C(CNc1ccccc1)Nc1ccccc1
Canonical SMILES:
C(Nc1ccccc1)CNc1ccccc1
InChI:
InChI=1S/C14H16N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey:
NOUUUQMKVOUUNR-UHFFFAOYSA-N

Cite this record

CBID:104898 http://www.chembase.cn/molecule-104898.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(phenylamino)ethyl]aniline
IUPAC Traditional name
diphenylethylenediamine
Synonyms
1,2-Dianilinoethane
N,N′-Ethylenedianiline
Wanzlick’s Reagent for aldehydes
N,N′-Diphenylethylenediamine
N,N'-Diphenylethylenediamine
1,2-DIANILINOETHANE
Wanzlick's Reagent
1,2-Dianilinoethane
N-[2-(phenylamino)ethyl]aniline
1,2-双苯胺基乙烷
N,N′-乙烯基二苯胺
醛的 Wanzlick 试剂
N,N′-二苯基乙二胺
1,2-双苯胺基乙烷
CAS Number
150-61-8
EC Number
205-765-6
MDL Number
MFCD00003019
Beilstein Number
646740
Merck Index
142990
PubChem SID
162092112
24893708
PubChem CID
67422

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6163318  LogD (pH = 7.4) 2.7190452 
Log P 2.7205229  Molar Refractivity 70.5346 cm3
Polarizability 25.94363 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
64-68°C expand Show data source
65-67 °C expand Show data source
65-67 °C(lit.) expand Show data source
65-67°C expand Show data source
67 - 69°C expand Show data source
Boiling Point
228°C/12mm expand Show data source
Hydrophobicity(logP)
3.124 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
KV4800000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) 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
Risk Statements
20/21/22 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
9-36/37 expand Show data source
TSCA Listed
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-H311-H332 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P361-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, Gloves expand Show data source
Purity
≥97.0% (NT) expand Show data source
95% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
C6H5NHCH2CH2NHC6H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05217902 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02157604 external link
Off-white to tan crystals.
Sigma Aldrich - D27004 external link
Other Notes
Remainder mainly 1,4-diphenylpiperazine
Packaging
25, 100 g in poly bottle
5 g in glass bottle
Application
Forms crystalline imidazolidines with aldehydes.1 N-donating ligand.2
Sigma Aldrich - 42747 external link
Other Notes
Protecting group reagent leading to crystallizing derivatives1,2,3

REFERENCES

REFERENCES

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  • • Forms crystalline imidazolidines with aldehydes in the presence of AcOH; ketones are unreactive: Chem. Ber., 86, 1463 (1953). Can be used as a trapping agent for aldehydes where further reaction could occur: Chem. Ber., 92, 530 (1959); the free aldehyde can be released by acid hydrolysis. Imidazolidine formation can also be catalyzed by 2,3-Dichloro-5,6-dicyanobenzoquinone, A11879: Tetrahedron, 51, 5813 (1995). See also N,N'-Dimethylethylenediamine, L02204.
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PATENTS

PATENTS

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INTERNET

INTERNET

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