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616-39-7 molecular structure
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diethyl(methyl)amine

ChemBase ID: 146293
Molecular Formular: C5H13N
Molecular Mass: 87.16342
Monoisotopic Mass: 87.10479942
SMILES and InChIs

SMILES:
CCN(C)CC
Canonical SMILES:
CCN(CC)C
InChI:
InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3
InChIKey:
GNVRJGIVDSQCOP-UHFFFAOYSA-N

Cite this record

CBID:146293 http://www.chembase.cn/molecule-146293.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diethyl(methyl)amine
IUPAC Traditional name
ethanamine, N-ethyl-N-methyl-
Synonyms
N-Methyldiethylamine
N,N-Diethylmethylamine
N-甲基二乙胺
N,N-二乙基甲胺
CAS Number
616-39-7
EC Number
210-480-5
MDL Number
MFCD00009049
Beilstein Number
1730930
PubChem SID
162240491
24894115
PubChem CID
12022

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
D98203 external link Add to cart Please log in.
Data Source Data ID
PubChem 12022 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5535223  LogD (pH = 7.4) -1.6215144 
Log P 0.90378535  Molar Refractivity 29.4853 cm3
Polarizability 11.495053 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
63-65 °C(lit.) expand Show data source
Flash Point
-11.2 °F expand Show data source
-24 °C expand Show data source
Density
0.72 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.389(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2733 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-20/22-34 expand Show data source
Safety Statements
16-26-36/37/39-45 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
H225-H301-H314-H332 expand Show data source
GHS Precautionary statements
P210-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) expand Show data source
RID/ADR
UN 2733 3/PG 2 expand Show data source
Purity
97% expand Show data source
Linear Formula
CH3N(C2H5)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D98203 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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