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2556-46-9 molecular structure
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N,N'-diphenylbenzenecarboximidamide

ChemBase ID: 75285
Molecular Formular: C19H16N2
Molecular Mass: 272.34374
Monoisotopic Mass: 272.13134852
SMILES and InChIs

SMILES:
N(=C(\c1ccccc1)/Nc1ccccc1)\c1ccccc1
Canonical SMILES:
c1ccc(cc1)N/C(=N/c1ccccc1)/c1ccccc1
InChI:
InChI=1S/C19H16N2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,(H,20,21)
InChIKey:
PMYWPCUIMGLRHO-UHFFFAOYSA-N

Cite this record

CBID:75285 http://www.chembase.cn/molecule-75285.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N'-diphenylbenzenecarboximidamide
IUPAC Traditional name
N,N'-diphenylbenzenecarboximidamide
Synonyms
N,N′-Diphenylbenzamidine
N,N'-Diphenylbenzamidine
N,N′-二苯基苄脒
CAS Number
2556-46-9
EC Number
219-872-0
MDL Number
MFCD01462033
MFCD00014074
PubChem SID
162040203
24864885
24864334
PubChem CID
75709

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 75709 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5788193  LogD (pH = 7.4) 4.825773 
Log P 5.126889  Molar Refractivity 90.3371 cm3
Polarizability 33.283657 Å3 Polar Surface Area 24.39 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
125-129 °C expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H413 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (TLC) expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C19H16N2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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