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306934-85-0 molecular structure
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(2,5-dimethylfuran-3-yl)methanamine

ChemBase ID: 80481
Molecular Formular: C7H11NO
Molecular Mass: 125.16834
Monoisotopic Mass: 125.08406398
SMILES and InChIs

SMILES:
o1c(c(cc1C)CN)C
Canonical SMILES:
NCc1cc(oc1C)C
InChI:
InChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3
InChIKey:
AGQXLVABIKZJJG-UHFFFAOYSA-N

Cite this record

CBID:80481 http://www.chembase.cn/molecule-80481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,5-dimethylfuran-3-yl)methanamine
IUPAC Traditional name
(2,5-dimethylfuran-3-yl)methanamine
Synonyms
(2,5-Dimethylfur-3-yl)methylamine
3-(Aminomethyl)-2,5-dimethylfuran 90%
(2,5-dimethyl-3-furyl)methylamine
CAS Number
306934-85-0
MDL Number
MFCD02677701
PubChem SID
162067601
PubChem CID
2776162

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776162 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2649071  LogD (pH = 7.4) -0.9476933 
Log P 0.63838243  Molar Refractivity 37.3442 cm3
Polarizability 14.0838375 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)
Boiling Point
42-56°C/0.1mm expand Show data source
Storage Warning
Corrosive expand Show data source
Purity
90% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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