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771573-26-3 molecular structure
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[3-(furan-2-yl)phenyl]methanamine

ChemBase ID: 92591
Molecular Formular: C11H11NO
Molecular Mass: 173.21114
Monoisotopic Mass: 173.08406398
SMILES and InChIs

SMILES:
o1cccc1c1cccc(c1)CN
Canonical SMILES:
NCc1cccc(c1)c1ccco1
InChI:
InChI=1S/C11H11NO/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H,8,12H2
InChIKey:
NCGHHPAVCSSDMJ-UHFFFAOYSA-N

Cite this record

CBID:92591 http://www.chembase.cn/molecule-92591.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(furan-2-yl)phenyl]methanamine
IUPAC Traditional name
[3-(furan-2-yl)phenyl]methanamine
Synonyms
[3-(2-furyl)phenyl]methylamine
2-[3-(Aminomethyl)phenyl]furan
3-(Fur-2-yl)benzylamine
[3-(Fur-2-yl)phenyl]methylamine 97%
CAS Number
771573-26-3
MDL Number
MFCD06213665
PubChem SID
162079289
PubChem CID
18525788

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18525788 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) -1.1670543  LogD (pH = 7.4) -0.1277864 
Log P 1.8064862  Molar Refractivity 52.0585 cm3
Polarizability 21.584846 Å3 Polar Surface Area 39.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive/Harmful/Air Sensitive/Store under Argon expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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