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5754-35-8 molecular structure
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2-(1,3-dioxolan-2-yl)ethan-1-amine

ChemBase ID: 160122
Molecular Formular: C5H11NO2
Molecular Mass: 117.14634
Monoisotopic Mass: 117.0789786
SMILES and InChIs

SMILES:
C1OC(OC1)CCN
Canonical SMILES:
NCCC1OCCO1
InChI:
InChI=1S/C5H11NO2/c6-2-1-5-7-3-4-8-5/h5H,1-4,6H2
InChIKey:
JNAQYWWCTUEVKR-UHFFFAOYSA-N

Cite this record

CBID:160122 http://www.chembase.cn/molecule-160122.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1,3-dioxolan-2-yl)ethan-1-amine
IUPAC Traditional name
2-(1,3-dioxolan-2-yl)ethanamine
Synonyms
1,3-Dioxolane-2-ethanamine
Aminoethyldioxolane
3-Aminopropionaldehyde Cyclic Ethylene Acetal
2-(2-Aminoethyl)-1,3-dioxolane
CAS Number
5754-35-8
PubChem SID
162254257
PubChem CID
79827

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A608960 external link Add to cart
PubChem 79827 external link
Data Source Data ID Price
TRC
A608960 external link Add to cart Please log in.
Data Source Data ID
PubChem 79827 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.315033  LogD (pH = 7.4) -2.799222 
Log P -0.29475364  Molar Refractivity 29.2262 cm3
Polarizability 12.143482 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Yellow Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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