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91339-51-4 molecular structure
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[2-(2,4-dimethylphenoxy)ethyl](methyl)amine

ChemBase ID: 312266
Molecular Formular: C11H17NO
Molecular Mass: 179.25878
Monoisotopic Mass: 179.13101417
SMILES and InChIs

SMILES:
c1(c(ccc(c1)C)OCCNC)C
Canonical SMILES:
CNCCOc1ccc(cc1C)C
InChI:
InChI=1S/C11H17NO/c1-9-4-5-11(10(2)8-9)13-7-6-12-3/h4-5,8,12H,6-7H2,1-3H3
InChIKey:
VKPQWPROAMZZCA-UHFFFAOYSA-N

Cite this record

CBID:312266 http://www.chembase.cn/molecule-312266.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(2,4-dimethylphenoxy)ethyl](methyl)amine
IUPAC Traditional name
[2-(2,4-dimethylphenoxy)ethyl](methyl)amine
Synonyms
2-(2,4-dimethylphenoxy)-N-methylethanamine
CAS Number
91339-51-4
MDL Number
MFCD08691877

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) -0.70015424  LogD (pH = 7.4) 0.36607265 
Log P 2.478014  Molar Refractivity 55.328 cm3
Polarizability 21.604408 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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