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4394-85-8 molecular structure
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morpholine-4-carbaldehyde

ChemBase ID: 69944
Molecular Formular: C5H9NO2
Molecular Mass: 115.13046
Monoisotopic Mass: 115.06332853
SMILES and InChIs

SMILES:
N1(CCOCC1)C=O
Canonical SMILES:
O=CN1CCOCC1
InChI:
InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
InChIKey:
LCEDQNDDFOCWGG-UHFFFAOYSA-N

Cite this record

CBID:69944 http://www.chembase.cn/molecule-69944.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
morpholine-4-carbaldehyde
IUPAC Traditional name
N-formylmorpholine
Synonyms
4-Formylmorpholine
Morpholine-1-carboxaldehyde
4-Morpholinecarboxaldehyde
4-Formylmorpholine
4-吗啉甲醛
N-甲酰吗啉
4-甲酰基吗啉
CAS Number
4394-85-8
EC Number
224-518-3
MDL Number
MFCD00006170
Beilstein Number
110293
PubChem SID
24855051
162035669
24871342
PubChem CID
20417

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.85013545  LogD (pH = 7.4) -0.8501354 
Log P -0.8501354  Molar Refractivity 28.8433 cm3
Polarizability 11.166473 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)
Melting Point
20-23 °C(lit.) expand Show data source
20-23°C expand Show data source
Boiling Point
236-237 °C(lit.) expand Show data source
239-241°C expand Show data source
Flash Point
118°C(244°F) expand Show data source
125 °C expand Show data source
257 °F expand Show data source
Density
1.145 g/mL at 25 °C(lit.) expand Show data source
1.15 g/ml expand Show data source
1.150 expand Show data source
Refractive Index
1.4860 expand Show data source
n20/D 1.485(lit.) expand Show data source
n20/D 1.486 expand Show data source
Storage Condition
2-8°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
IRRITANT expand Show data source
RTECS
QD9694000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
≥98.0% (GC) expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H9NO2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02158185 external link
1 ml = approx. 1.15 g
Sigma Aldrich - 250376 external link
Packaging
100, 500 g in poly bottle
Sigma Aldrich - 47721 external link
Other Notes
Reagent for the synthesis of aldehydes from Grignard or organo-lithium compounds1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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