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764651-75-4 molecular structure
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[(3-methoxyphenyl)methyl](propyl)amine

ChemBase ID: 312254
Molecular Formular: C11H17NO
Molecular Mass: 179.25878
Monoisotopic Mass: 179.13101417
SMILES and InChIs

SMILES:
c1c(OC)cccc1CNCCC
Canonical SMILES:
CCCNCc1cccc(c1)OC
InChI:
InChI=1S/C11H17NO/c1-3-7-12-9-10-5-4-6-11(8-10)13-2/h4-6,8,12H,3,7,9H2,1-2H3
InChIKey:
UDBXJQKNGYJALH-UHFFFAOYSA-N

Cite this record

CBID:312254 http://www.chembase.cn/molecule-312254.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-methoxyphenyl)methyl](propyl)amine
IUPAC Traditional name
[(3-methoxyphenyl)methyl](propyl)amine
Synonyms
(3-methoxybenzyl)propylamine
CAS Number
764651-75-4
MDL Number
MFCD07410194

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 9070465 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.94833165  LogD (pH = 7.4) -0.04839112 
Log P 2.2532537  Molar Refractivity 55.0418 cm3
Polarizability 21.759176 Å3 Polar Surface Area 21.26 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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