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13548-69-1 molecular structure
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9H-fluorene-2,7-diamine dihydrochloride

ChemBase ID: 107568
Molecular Formular: C13H14Cl2N2
Molecular Mass: 269.16966
Monoisotopic Mass: 268.05340382
SMILES and InChIs

SMILES:
Cl.Cl.Nc1ccc2c(Cc3cc(N)ccc23)c1
Canonical SMILES:
Nc1ccc2c(c1)Cc1c2ccc(c1)N.Cl.Cl
InChI:
InChI=1S/C13H12N2.2ClH/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;;/h1-4,6-7H,5,14-15H2;2*1H
InChIKey:
QJXYCUYLZDQRIN-UHFFFAOYSA-N

Cite this record

CBID:107568 http://www.chembase.cn/molecule-107568.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluorene-2,7-diamine dihydrochloride
IUPAC Traditional name
2,7-diamino-fluoren dihydrochloride
Synonyms
2,7-DIAMINOFLUORENE DIHYDROCHLORIDE
CAS Number
13548-69-1
EC Number
236-924-8
PubChem SID
162093253
PubChem CID
11543576

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05204206 external link Add to cart Please log in.
Data Source Data ID
PubChem 11543576 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.93204  H Acceptors
H Donor LogD (pH = 5.5) 2.0111983 
LogD (pH = 7.4) 2.0802262  Log P 2.0811675 
Molar Refractivity 64.2742 cm3 Polarizability 24.681295 Å3
Polar Surface Area 52.04 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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