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5700-60-7 molecular structure
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1,2-diphenylethane-1,2-diamine

ChemBase ID: 87205
Molecular Formular: C14H16N2
Molecular Mass: 212.29024
Monoisotopic Mass: 212.13134852
SMILES and InChIs

SMILES:
NC(c1ccccc1)C(c1ccccc1)N
Canonical SMILES:
NC(C(c1ccccc1)N)c1ccccc1
InChI:
InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2
InChIKey:
PONXTPCRRASWKW-UHFFFAOYSA-N

Cite this record

CBID:87205 http://www.chembase.cn/molecule-87205.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-diphenylethane-1,2-diamine
IUPAC Traditional name
1,2-diphenylethane-1,2-diamine
Synonyms
1,2-Diphenyl-1,2-ethanediamine 98%
CAS Number
5700-60-7
MDL Number
MFCD00709169
PubChem SID
162074321
PubChem CID
110695

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR30500 external link Add to cart Please log in.
Data Source Data ID
PubChem 110695 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8482778  LogD (pH = 7.4) 0.31417987 
Log P 2.1460378  Molar Refractivity 66.4342 cm3
Polarizability 26.751324 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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