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53175-35-2 molecular structure
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(furan-2-ylmethyl)(prop-2-yn-1-yl)amine

ChemBase ID: 306524
Molecular Formular: C8H9NO
Molecular Mass: 135.16316
Monoisotopic Mass: 135.06841391
SMILES and InChIs

SMILES:
C(#C)CNCc1occc1
Canonical SMILES:
C#CCNCc1ccco1
InChI:
InChI=1S/C8H9NO/c1-2-5-9-7-8-4-3-6-10-8/h1,3-4,6,9H,5,7H2
InChIKey:
CLZVALUILSOXNQ-UHFFFAOYSA-N

Cite this record

CBID:306524 http://www.chembase.cn/molecule-306524.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(furan-2-ylmethyl)(prop-2-yn-1-yl)amine
IUPAC Traditional name
(furan-2-ylmethyl)(prop-2-yn-1-yl)amine
Synonyms
(2-furylmethyl)prop-2-yn-1-ylamine
CAS Number
53175-35-2
MDL Number
MFCD02737457

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) -0.9300223  LogD (pH = 7.4) 0.5849772 
Log P 0.81992435  Molar Refractivity 39.2771 cm3
Polarizability 14.981646 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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