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57162-94-4 molecular structure
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methyl({2-[2-(prop-2-en-1-yl)phenoxy]ethyl})amine

ChemBase ID: 312263
Molecular Formular: C12H17NO
Molecular Mass: 191.26948
Monoisotopic Mass: 191.13101417
SMILES and InChIs

SMILES:
c1(c(CC=C)cccc1)OCCNC
Canonical SMILES:
CNCCOc1ccccc1CC=C
InChI:
InChI=1S/C12H17NO/c1-3-6-11-7-4-5-8-12(11)14-10-9-13-2/h3-5,7-8,13H,1,6,9-10H2,2H3
InChIKey:
BHPZRGLXNOJIKL-UHFFFAOYSA-N

Cite this record

CBID:312263 http://www.chembase.cn/molecule-312263.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({2-[2-(prop-2-en-1-yl)phenoxy]ethyl})amine
IUPAC Traditional name
methyl({2-[2-(prop-2-en-1-yl)phenoxy]ethyl})amine
Synonyms
2-(2-allylphenoxy)-N-methylethanamine
CAS Number
57162-94-4
MDL Number
MFCD08691874

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) -0.6235028  LogD (pH = 7.4) 0.46986076 
Log P 2.549742  Molar Refractivity 59.5329 cm3
Polarizability 23.373446 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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