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851169-48-7 molecular structure
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[2-amino-1-(furan-2-yl)ethyl]dimethylamine

ChemBase ID: 17480
Molecular Formular: C8H14N2O
Molecular Mass: 154.20956
Monoisotopic Mass: 154.11061308
SMILES and InChIs

SMILES:
c1(C(N(C)C)CN)ccco1
Canonical SMILES:
NCC(c1ccco1)N(C)C
InChI:
InChI=1S/C8H14N2O/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,6,9H2,1-2H3
InChIKey:
AZJFCUDCKGDHOQ-UHFFFAOYSA-N

Cite this record

CBID:17480 http://www.chembase.cn/molecule-17480.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-amino-1-(furan-2-yl)ethyl]dimethylamine
IUPAC Traditional name
[2-amino-1-(furan-2-yl)ethyl]dimethylamine
Synonyms
1-Furan-2-yl-N*1*,N*1*-dimethyl-ethane-1,2-diamine
1-(furan-2-yl)-N1,N1-dimethylethane-1,2-diamine
1-(2-furyl)-N~1~,N~1~-dimethylethane-1,2-diamine
1-(2-furyl)-N~1~,N~1~-dimethyl-1,2-ethanediamine
N-[2-amino-1-(2-furyl)ethyl]-N,N-dimethylamine
CAS Number
851169-48-7
MDL Number
MFCD06655012
PubChem SID
160980787
PubChem CID
3754087

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1962264  LogD (pH = 7.4) -1.1499069 
Log P 0.2376725  Molar Refractivity 44.6116 cm3
Polarizability 17.606127 Å3 Polar Surface Area 42.4 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
-0.475 expand Show data source
Hydrophobicity(logP)
0.489 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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