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33611-43-7 molecular structure
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methyl 3-(morpholin-4-yl)propanoate

ChemBase ID: 8732
Molecular Formular: C8H15NO3
Molecular Mass: 173.2096
Monoisotopic Mass: 173.10519335
SMILES and InChIs

SMILES:
C(N1CCOCC1)CC(=O)OC
Canonical SMILES:
COC(=O)CCN1CCOCC1
InChI:
InChI=1S/C8H15NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-7H2,1H3
InChIKey:
YMSLLIGKMYXCPK-UHFFFAOYSA-N

Cite this record

CBID:8732 http://www.chembase.cn/molecule-8732.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-(morpholin-4-yl)propanoate
IUPAC Traditional name
methyl 3-(morpholin-4-yl)propanoate
Synonyms
Methyl 3-morpholinopropionate
Methyl 4-morpholinepropionate
methyl 3-morpholinopropanoate
methyl 3-morpholin-4-ylpropanoate
4-吗啉丙酸甲酯
CAS Number
33611-43-7
MDL Number
MFCD00023391
PubChem SID
160972039
24864139
PubChem CID
101373

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5450037  LogD (pH = 7.4) -0.27795577 
Log P -0.16744089  Molar Refractivity 44.6157 cm3
Polarizability 17.755844 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
146 - 149°C expand Show data source
Boiling Point
112°C/15mm expand Show data source
82 °C/2 mmHg(lit.) expand Show data source
Flash Point
104 °C expand Show data source
219.2 °F expand Show data source
Density
1.06 expand Show data source
1.068 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.459(lit.) expand Show data source
Hydrophobicity(logP)
0.495 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
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
Purity
95% expand Show data source
98% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C8H15NO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 390372 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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