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53175-33-0 molecular structure
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(furan-2-ylmethyl)(prop-2-en-1-yl)amine

ChemBase ID: 312510
Molecular Formular: C8H11NO
Molecular Mass: 137.17904
Monoisotopic Mass: 137.08406398
SMILES and InChIs

SMILES:
c1(occc1)CNCC=C
Canonical SMILES:
C=CCNCc1ccco1
InChI:
InChI=1S/C8H11NO/c1-2-5-9-7-8-4-3-6-10-8/h2-4,6,9H,1,5,7H2
InChIKey:
MTYBVTYEWJBZQI-UHFFFAOYSA-N

Cite this record

CBID:312510 http://www.chembase.cn/molecule-312510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(furan-2-ylmethyl)(prop-2-en-1-yl)amine
IUPAC Traditional name
(furan-2-ylmethyl)(prop-2-en-1-yl)amine
Synonyms
N-(2-furylmethyl)-2-propen-1-amine
CAS Number
53175-33-0
MDL Number
MFCD07410484

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) -0.9146215  LogD (pH = 7.4) 0.7920234 
Log P 1.3230911  Molar Refractivity 40.8596 cm3
Polarizability 15.84224 Å3 Polar Surface Area 25.17 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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