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17373-27-2 molecular structure
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dimethyl(nonyl)amine

ChemBase ID: 151364
Molecular Formular: C11H25N
Molecular Mass: 171.3229
Monoisotopic Mass: 171.19869981
SMILES and InChIs

SMILES:
CCCCCCCCCN(C)C
Canonical SMILES:
CCCCCCCCCN(C)C
InChI:
InChI=1S/C11H25N/c1-4-5-6-7-8-9-10-11-12(2)3/h4-11H2,1-3H3
InChIKey:
AMAADDMFZSZCNT-UHFFFAOYSA-N

Cite this record

CBID:151364 http://www.chembase.cn/molecule-151364.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl(nonyl)amine
IUPAC Traditional name
dimethyl(nonyl)amine
Synonyms
1-(Dimethylamino)nonane
N,N-Dimethylnonylamine
1-(二甲氨基)壬烷
N,N-二甲基壬基胺
CAS Number
17373-27-2
MDL Number
MFCD00053419
Beilstein Number
1736553
PubChem SID
162245518
24870160
PubChem CID
546933

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 546933 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.30092236  LogD (pH = 7.4) 1.3772341 
Log P 3.7369118  Molar Refractivity 56.8667 cm3
Polarizability 22.57728 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
83 °C/7 mmHg(lit.) expand Show data source
Flash Point
168.8 °F expand Show data source
76 °C expand Show data source
Density
0.773 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.428 expand Show data source
n20/D 1.428(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
38 expand Show data source
Safety Statements
23-24/25 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315 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
Purity
97% expand Show data source
98% (GC) expand Show data source
Grade
purum expand Show data source
Linear Formula
CH3(CH2)8N(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 464295 external link
Packaging
10 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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