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30668-14-5 molecular structure
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1-(morpholin-4-yl)propan-1-one

ChemBase ID: 141668
Molecular Formular: C7H13NO2
Molecular Mass: 143.18362
Monoisotopic Mass: 143.09462866
SMILES and InChIs

SMILES:
CCC(=O)N1CCOCC1
Canonical SMILES:
CCC(=O)N1CCOCC1
InChI:
InChI=1S/C7H13NO2/c1-2-7(9)8-3-5-10-6-4-8/h2-6H2,1H3
InChIKey:
DLEWDCPFCNLJEY-UHFFFAOYSA-N

Cite this record

CBID:141668 http://www.chembase.cn/molecule-141668.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(morpholin-4-yl)propan-1-one
IUPAC Traditional name
1-(morpholin-4-yl)propan-1-one
Synonyms
1-Morpholino-1-propanone
4-(1-Oxopropyl)morpholine
4-Propionylmorpholine
N-Propanoylmorpholine
1-(4-Morpholinyl)-1-propanone
1-吗啉-1-丙酮
4-(1-氧代丙基)吗啉
4-丙酰吗啉
N-丙酰吗啉
1-(4-吗啉基)-1-丙酮
CAS Number
30668-14-5
MDL Number
MFCD03208781
PubChem SID
162235902
PubChem CID
225447

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
701467 external link Add to cart Please log in.
Data Source Data ID
PubChem 225447 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.1009012  LogD (pH = 7.4) -0.10090081 
Log P -0.1009008  Molar Refractivity 37.9607 cm3
Polarizability 14.820513 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
70-75 °C/0.5 mmHg expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Density
1.068 g/mL at 25 °C expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C7H13NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 701467 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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