Home > Compound List > Compound details
2016-05-9 molecular structure
click picture or here to close

[bis(cyclohexyloxy)methyl]dimethylamine

ChemBase ID: 138997
Molecular Formular: C15H29NO2
Molecular Mass: 255.39626
Monoisotopic Mass: 255.21982917
SMILES and InChIs

SMILES:
CN(C)C(OC1CCCCC1)OC1CCCCC1
Canonical SMILES:
CN(C(OC1CCCCC1)OC1CCCCC1)C
InChI:
InChI=1S/C15H29NO2/c1-16(2)15(17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h13-15H,3-12H2,1-2H3
InChIKey:
GCCBITPXNLHRFH-UHFFFAOYSA-N

Cite this record

CBID:138997 http://www.chembase.cn/molecule-138997.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[bis(cyclohexyloxy)methyl]dimethylamine
IUPAC Traditional name
[bis(cyclohexyloxy)methyl]dimethylamine
Synonyms
1,1-Dicyclohexyloxytrimethylamine
N,N-Dimethylformamide dicyclohexyl acetal
1,1-二环己氧基三甲胺
N,N-二甲基甲酰胺二环己基缩醛
CAS Number
2016-05-9
EC Number
217-947-2
MDL Number
MFCD00003851
PubChem SID
162233248
24848536
PubChem CID
74838

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
142786 external link Add to cart Please log in.
Data Source Data ID
PubChem 74838 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.32831  LogD (pH = 7.4) 4.406509 
Log P 4.407603  Molar Refractivity 74.3424 cm3
Polarizability 29.810308 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
115-116 °C/0.75 mmHg(lit.) expand Show data source
Flash Point
195.8 °F expand Show data source
91 °C expand Show data source
Density
0.958 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4678(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
26-36/37/39 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
Linear Formula
(CH3)2NCH(OC6H11)2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle