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622-15-1 molecular structure
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N,N'-diphenylmethanimidamide

ChemBase ID: 151544
Molecular Formular: C13H12N2
Molecular Mass: 196.24778
Monoisotopic Mass: 196.10004839
SMILES and InChIs

SMILES:
c1ccc(cc1)N/C=N/c1ccccc1
Canonical SMILES:
c1ccc(cc1)N/C=N/c1ccccc1
InChI:
InChI=1S/C13H12N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-11H,(H,14,15)
InChIKey:
ZQUVDXMUKIVNOW-UHFFFAOYSA-N

Cite this record

CBID:151544 http://www.chembase.cn/molecule-151544.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N'-diphenylmethanimidamide
(E)-N,N'-diphenylmethanimidamide
IUPAC Traditional name
N,N'-diphenylmethanimidamide
(E)-N,N'-diphenylmethanimidamide
Synonyms
N,N′-Diphenylformamidine
N,N'-Diphenylformamidine
N,N′-二苯甲脒
N,N'-二苯基甲脒
CAS Number
622-15-1
EC Number
210-720-9
MDL Number
MFCD00003026
Beilstein Number
511953
PubChem SID
162245697
24866914
24849829
PubChem CID
94888

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 94888 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5316666  LogD (pH = 7.4) 2.6205425 
Log P 3.224016  Molar Refractivity 65.1761 cm3
Polarizability 23.656536 Å3 Polar Surface Area 24.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
136-139 °C(lit.) expand Show data source
136-139°C expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
PB7705000 expand Show data source
European Hazard Symbols
X 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
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95% (NT) expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Linear Formula
C6H5NHCH=NC6H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 159646 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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