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133097-30-0 molecular structure
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1-(6-methoxynaphthalen-2-yl)ethan-1-amine

ChemBase ID: 306761
Molecular Formular: C13H15NO
Molecular Mass: 201.2643
Monoisotopic Mass: 201.11536411
SMILES and InChIs

SMILES:
c1(cc2c(cc(cc2)OC)cc1)C(N)C
Canonical SMILES:
COc1ccc2c(c1)ccc(c2)C(N)C
InChI:
InChI=1S/C13H15NO/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9H,14H2,1-2H3
InChIKey:
VUFKZXAYBCKZFL-UHFFFAOYSA-N

Cite this record

CBID:306761 http://www.chembase.cn/molecule-306761.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(6-methoxynaphthalen-2-yl)ethan-1-amine
IUPAC Traditional name
1-(6-methoxynaphthalen-2-yl)ethanamine
Synonyms
1-(6-methoxy-2-naphthyl)ethanamine
CAS Number
133097-30-0
MDL Number
MFCD08059758

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6555773  LogD (pH = 7.4) 0.13903663 
Log P 2.3473947  Molar Refractivity 61.8636 cm3
Polarizability 25.663422 Å3 Polar Surface Area 35.25 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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