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481-91-4 molecular structure
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4-(4-aminonaphthalen-1-yl)naphthalen-1-amine

ChemBase ID: 107199
Molecular Formular: C20H16N2
Molecular Mass: 284.35444
Monoisotopic Mass: 284.13134852
SMILES and InChIs

SMILES:
Nc1ccc(c2ccccc12)c1ccc(N)c2ccccc12
Canonical SMILES:
Nc1ccc(c2c1cccc2)c1ccc(c2c1cccc2)N
InChI:
InChI=1S/C20H16N2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H,21-22H2
InChIKey:
RZPBZEISZUFQSV-UHFFFAOYSA-N

Cite this record

CBID:107199 http://www.chembase.cn/molecule-107199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-aminonaphthalen-1-yl)naphthalen-1-amine
IUPAC Traditional name
4-(4-aminonaphthalen-1-yl)naphthalen-1-amine
Synonyms
4,4'-DIAMINO-1,1'-BINAPHTHYL
CAS Number
481-91-4
PubChem SID
162093010
PubChem CID
68078

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05202898 external link Add to cart Please log in.
Data Source Data ID
PubChem 68078 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.916329  LogD (pH = 7.4) 3.9412477 
Log P 3.9415727  Molar Refractivity 93.4954 cm3
Polarizability 38.996635 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

MP Biomedicals MP Biomedicals
MP Biomedicals - 05202898 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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