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5302-79-4 molecular structure
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7-methoxynaphthalen-1-amine

ChemBase ID: 806494
Molecular Formular: C11H11NO
Molecular Mass: 173.21114
Monoisotopic Mass: 173.08406398
SMILES and InChIs

SMILES:
c1(cc2c(cc1)cccc2N)OC
Canonical SMILES:
COc1ccc2c(c1)c(N)ccc2
InChI:
InChI=1S/C11H11NO/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h2-7H,12H2,1H3
InChIKey:
PYPBAWHTDYSLKJ-UHFFFAOYSA-N

Cite this record

CBID:806494 http://www.chembase.cn/molecule-806494.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxynaphthalen-1-amine
IUPAC Traditional name
7-methoxynaphthalen-1-amine
Synonyms
7-METHOXYNAPHTHALEN-1-AMINE
CAS Number
5302-79-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24171 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24171 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) 1.9671766  LogD (pH = 7.4) 1.9760115 
Log P 1.9761254  Molar Refractivity 53.6718 cm3
Polarizability 21.559835 Å3 Polar Surface Area 35.25 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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