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2745-22-4 molecular structure
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2-amino-1-(furan-2-yl)ethan-1-ol

ChemBase ID: 43215
Molecular Formular: C6H9NO2
Molecular Mass: 127.14116
Monoisotopic Mass: 127.06332853
SMILES and InChIs

SMILES:
c1(occc1)C(O)CN
Canonical SMILES:
NCC(c1ccco1)O
InChI:
InChI=1S/C6H9NO2/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4,7H2
InChIKey:
JWQAFPHYLSGNSK-UHFFFAOYSA-N

Cite this record

CBID:43215 http://www.chembase.cn/molecule-43215.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-1-(furan-2-yl)ethan-1-ol
IUPAC Traditional name
2-amino-1-(furan-2-yl)ethanol
Synonyms
2-amino-1-(2-furyl)ethanol
2-Amino-1-(2-furyl)-1-ethanol
2-Amino-1-fur-2-ylethan-1-ol
2-(2-Amino-1-hydroxyethyl)furan
CAS Number
2745-22-4
MDL Number
MFCD04038401
PubChem SID
162047978
PubChem CID
2756441

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.076493  H Acceptors
H Donor LogD (pH = 5.5) -3.335135 
LogD (pH = 7.4) -1.9297531  Log P -0.47107404 
Molar Refractivity 32.8848 cm3 Polarizability 13.032409 Å3
Polar Surface Area 59.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
80 - 82°C expand Show data source
Hydrophobicity(logP)
-0.549 expand Show data source
Storage Warning
IRRITANT expand Show data source
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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