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57366-77-5 molecular structure
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(1,3-dioxolan-2-ylmethyl)(methyl)amine

ChemBase ID: 148673
Molecular Formular: C5H11NO2
Molecular Mass: 117.14634
Monoisotopic Mass: 117.0789786
SMILES and InChIs

SMILES:
CNCC1OCCO1
Canonical SMILES:
CNCC1OCCO1
InChI:
InChI=1S/C5H11NO2/c1-6-4-5-7-2-3-8-5/h5-6H,2-4H2,1H3
InChIKey:
ZCCPVTVGEQLONB-UHFFFAOYSA-N

Cite this record

CBID:148673 http://www.chembase.cn/molecule-148673.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1,3-dioxolan-2-ylmethyl)(methyl)amine
IUPAC Traditional name
(1,3-dioxolan-2-ylmethyl)(methyl)amine
Synonyms
2-Methylaminomethyl-1,3-dioxolane
2-甲基氨基甲基-1,3-二氧戊环
CAS Number
57366-77-5
MDL Number
MFCD00010422
PubChem SID
24856907
162242848
PubChem CID
541754

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
279749 external link Add to cart Please log in.
Data Source Data ID
PubChem 541754 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1580117  LogD (pH = 7.4) -1.6679367 
Log P -0.13247636  Molar Refractivity 29.549 cm3
Polarizability 12.143482 Å3 Polar Surface Area 30.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
136.4 °F expand Show data source
58 °C expand Show data source
Density
1.029 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4404(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C5H11NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 279749 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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