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100-74-3 molecular structure
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4-ethylmorpholine

ChemBase ID: 109848
Molecular Formular: C6H13NO
Molecular Mass: 115.17352
Monoisotopic Mass: 115.09971404
SMILES and InChIs

SMILES:
CCN1CCOCC1
Canonical SMILES:
CCN1CCOCC1
InChI:
InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
InChIKey:
HVCNXQOWACZAFN-UHFFFAOYSA-N

Cite this record

CBID:109848 http://www.chembase.cn/molecule-109848.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethylmorpholine
IUPAC Traditional name
4-ethylmorpholine
Synonyms
N-ETHYLMORPHOLINE, REAG
4-Ethylmorpholine
4-Ethylmorpholine
N-Ethylmorpholine
N-乙基吗啉
4-乙基吗啉
CAS Number
100-74-3
EC Number
202-885-0
MDL Number
MFCD00006177
Beilstein Number
102969
PubChem SID
24845744
162095286
24846947
PubChem CID
7525

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9265534  LogD (pH = 7.4) -0.20108935 
Log P 0.32847697  Molar Refractivity 33.8112 cm3
Polarizability 13.269628 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-63 °C(lit.) expand Show data source
-63°C expand Show data source
Boiling Point
138-139°C expand Show data source
139 °C(lit.) expand Show data source
Flash Point
27°C(80°F) expand Show data source
30 °C expand Show data source
86 °F expand Show data source
Density
0.908 expand Show data source
0.91 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.4413 expand Show data source
n20/D 1.441(lit.) expand Show data source
n20/D 1.442 expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
QE4025000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
2920 expand Show data source
UN2734 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
10-21/22-34 expand Show data source
Safety Statements
20-23-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H302 + H332-H311-H314 expand Show data source
H301-H311-H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2920 8/PG 2 expand Show data source
Purity
≥97.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤3% 4-methylmorpholine expand Show data source
Empirical Formula (Hill Notation)
C6H13NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212785 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 109932 external link
Packaging
100, 500 mL in glass bottle
4 L in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Base for use in peptide and similar coupling reactions. For example, has been used in conjunction with ethyl chloroformate for the mild coupling of substituted aromatic acids with primary amines or for the coupling of N-hydroxysuccinimide active esters with peptide residues: J. Med. Chem., 34, 2328 (1991). Compare 4-Methylmorpholine, A12158. For peptide reagents, see Appendix 6.
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PATENTS

PATENTS

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INTERNET

INTERNET

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