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40023-80-1 molecular structure
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[1-(4-methoxyphenyl)propyl](methyl)amine

ChemBase ID: 311762
Molecular Formular: C11H17NO
Molecular Mass: 179.25878
Monoisotopic Mass: 179.13101417
SMILES and InChIs

SMILES:
c1(ccc(cc1)OC)C(NC)CC
Canonical SMILES:
CCC(c1ccc(cc1)OC)NC
InChI:
InChI=1S/C11H17NO/c1-4-11(12-2)9-5-7-10(13-3)8-6-9/h5-8,11-12H,4H2,1-3H3
InChIKey:
UNXOGHQXFQRMTM-UHFFFAOYSA-N

Cite this record

CBID:311762 http://www.chembase.cn/molecule-311762.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(4-methoxyphenyl)propyl](methyl)amine
IUPAC Traditional name
[1-(4-methoxyphenyl)propyl](methyl)amine
Synonyms
1-(4-methoxyphenyl)-N-methylpropan-1-amine
CAS Number
40023-80-1
MDL Number
MFCD00507857

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -0.89458644  LogD (pH = 7.4) -0.05241808 
Log P 2.3130207  Molar Refractivity 54.712 cm3
Polarizability 21.758648 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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