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885280-30-8 molecular structure
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4-(2-aminophenyl)benzaldehyde

ChemBase ID: 811319
Molecular Formular: C13H11NO
Molecular Mass: 197.23254
Monoisotopic Mass: 197.08406398
SMILES and InChIs

SMILES:
c1(ccc(cc1)c1c(cccc1)N)C=O
Canonical SMILES:
O=Cc1ccc(cc1)c1ccccc1N
InChI:
InChI=1S/C13H11NO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-9H,14H2
InChIKey:
FGDZXJRHSWKKPT-UHFFFAOYSA-N

Cite this record

CBID:811319 http://www.chembase.cn/molecule-811319.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-aminophenyl)benzaldehyde
IUPAC Traditional name
4-(2-aminophenyl)benzaldehyde
Synonyms
2'-AMINO-BIPHENYL-4-CARBALDEHYDE
CAS Number
885280-30-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30580 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30580 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4953632  LogD (pH = 7.4) 2.5039372 
Log P 2.5040476  Molar Refractivity 62.4786 cm3
Polarizability 24.392672 Å3 Polar Surface Area 43.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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