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617-84-5 molecular structure
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N,N-diethylformamide

ChemBase ID: 103198
Molecular Formular: C5H11NO
Molecular Mass: 101.14694
Monoisotopic Mass: 101.08406398
SMILES and InChIs

SMILES:
CCN(CC)C=O
Canonical SMILES:
CCN(C=O)CC
InChI:
InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3
InChIKey:
SUAKHGWARZSWIH-UHFFFAOYSA-N

Cite this record

CBID:103198 http://www.chembase.cn/molecule-103198.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethylformamide
IUPAC Traditional name
N,N-diethylformamide
Synonyms
N,N-Diethylformamide
N,N-DIETHYLFORMAMIDE
DIETHYLFORMAMIDE
N,N-二乙基甲酰胺
CAS Number
617-84-5
EC Number
210-533-2
MDL Number
MFCD00003287
Beilstein Number
1209392
PubChem SID
24859236
162090670
24851213
PubChem CID
12051

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.08198092  LogD (pH = 7.4) 0.081981 
Log P 0.081981  Molar Refractivity 29.266 cm3
Polarizability 11.1500025 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
176-177 °C(lit.) expand Show data source
178°C expand Show data source
Flash Point
140 °F expand Show data source
60 °C expand Show data source
65°C(149°F) expand Show data source
Density
0.908 g/mL at 25 °C(lit.) expand Show data source
0.91 g/ml expand Show data source
0.910 expand Show data source
Refractive Index
1.4340 expand Show data source
n20/D 1.434 expand Show data source
n20/D 1.434(lit.) expand Show data source
Hydrophobicity(logP)
0.02 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
LQ1925000 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
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
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
36 expand Show data source
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36/37/39 expand Show data source
TSCA Listed
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
H319-H227 expand Show data source
GHS Precautionary statements
P210-P280-P305+P351+P338-P337+P313-P403+P235-P501A expand Show data source
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
≥99.0% (GC) expand Show data source
95% expand Show data source
95+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
HCON(C2H5)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150893 external link
Purity: 99%
1 ml = approx. 0.91 g
Sigma Aldrich - 186317 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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