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869945-34-6 molecular structure
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(oxolan-2-ylmethyl)[(2E)-3-phenylprop-2-en-1-yl]amine

ChemBase ID: 312161
Molecular Formular: C14H19NO
Molecular Mass: 217.30676
Monoisotopic Mass: 217.14666423
SMILES and InChIs

SMILES:
O1C(CNC/C=C/c2ccccc2)CCC1
Canonical SMILES:
C(/C=C/c1ccccc1)NCC1CCCO1
InChI:
InChI=1S/C14H19NO/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14/h1-4,6-8,14-15H,5,9-12H2/b8-4+
InChIKey:
GCEKGRFKIOBVDD-XBXARRHUSA-N

Cite this record

CBID:312161 http://www.chembase.cn/molecule-312161.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(oxolan-2-ylmethyl)[(2E)-3-phenylprop-2-en-1-yl]amine
IUPAC Traditional name
(oxolan-2-ylmethyl)[(2E)-3-phenylprop-2-en-1-yl]amine
Synonyms
(3-phenyl-2-propen-1-yl)(tetrahydro-2-furanylmethyl)amine hydrochloride
CAS Number
869945-34-6
MDL Number
MFCD07106345

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) -0.47710752  LogD (pH = 7.4) 0.99569356 
Log P 2.5600994  Molar Refractivity 67.8793 cm3
Polarizability 26.420916 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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