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6006-65-1 molecular structure
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(dipropoxymethyl)dimethylamine

ChemBase ID: 150313
Molecular Formular: C9H21NO2
Molecular Mass: 175.26854
Monoisotopic Mass: 175.15722892
SMILES and InChIs

SMILES:
CCCOC(N(C)C)OCCC
Canonical SMILES:
CCCOC(N(C)C)OCCC
InChI:
InChI=1S/C9H21NO2/c1-5-7-11-9(10(3)4)12-8-6-2/h9H,5-8H2,1-4H3
InChIKey:
NSLGQFIDCADTAS-UHFFFAOYSA-N

Cite this record

CBID:150313 http://www.chembase.cn/molecule-150313.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(dipropoxymethyl)dimethylamine
IUPAC Traditional name
(dipropoxymethyl)dimethylamine
Synonyms
1,1-Dipropoxytrimethylamine
1,1-Dipropoxy-N,N-dimethylmethylamine
N,N-Dimethylformamide dipropyl acetal
1,1-Di-n-propoxy-N,N-dimethylmethylamine
N,N-Dimethylformamide di-n-propyl acetal
1,1-二丙氧基-N,N-二甲基甲胺
1,1-二丙氧基三甲胺
N,N-二甲基甲酰胺二丙基缩醛
N,N-二甲基甲酰胺二正丙基乙缩醛
CAS Number
6006-65-1
EC Number
227-855-4
MDL Number
MFCD00009374
Beilstein Number
1098524
PubChem SID
24865124
24850754
24864633
162244474
PubChem CID
80105

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 80105 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5001528  LogD (pH = 7.4) 2.5668027 
Log P 2.5677223  Molar Refractivity 50.8592 cm3
Polarizability 20.215715 Å3 Polar Surface Area 21.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
67-68 °C/14 mmHg(lit.) expand Show data source
67-68°C/14mm expand Show data source
Flash Point
114.8 °F expand Show data source
46 °C expand Show data source
46°C(115°F) expand Show data source
Density
0.854 expand Show data source
0.854 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4088 expand Show data source
n20/D 1.409 expand Show data source
n20/D 1.409(lit.) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1993 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
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 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 expand Show data source
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P280-P303+P361+P353-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
≥97.0% (NT) expand Show data source
97% expand Show data source
Grade
for GC derivatization expand Show data source
purum expand Show data source
Linear Formula
(CH3)2NCH(OCH2CH2CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 178527 external link
Packaging
25 g in glass bottle
Sigma Aldrich - 394998 external link
Packaging
10×1, 5, 25 mL in ampule
Sigma Aldrich - 40283 external link
Other Notes
Review1

REFERENCES

REFERENCES

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PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

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