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37798-08-6 molecular structure
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1-benzofuran-5-ylmethanamine

ChemBase ID: 75951
Molecular Formular: C9H9NO
Molecular Mass: 147.17386
Monoisotopic Mass: 147.06841391
SMILES and InChIs

SMILES:
o1c2c(cc(cc2)CN)cc1
Canonical SMILES:
NCc1ccc2c(c1)cco2
InChI:
InChI=1S/C9H9NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2
InChIKey:
OFMIMSPBHXZKRI-UHFFFAOYSA-N

Cite this record

CBID:75951 http://www.chembase.cn/molecule-75951.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzofuran-5-ylmethanamine
IUPAC Traditional name
1-benzofuran-5-ylmethanamine
Synonyms
1-benzofuran-5-ylmethylamine
(Benzo[b]furan-5-yl)methylamine
5-(Aminomethyl)benzo[b]furan 97%
CAS Number
37798-08-6
MDL Number
MFCD04974039
PubChem SID
162040869
PubChem CID
2795182

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2795182 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7148286  LogD (pH = 7.4) -0.6720724 
Log P 1.2581377  Molar Refractivity 43.3725 cm3
Polarizability 18.122597 Å3 Polar Surface Area 39.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
32-34°C expand Show data source
Storage Warning
Corrosive/Hygroscopic/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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