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37529-30-9 molecular structure
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4-decylaniline

ChemBase ID: 69686
Molecular Formular: C16H27N
Molecular Mass: 233.39228
Monoisotopic Mass: 233.21434987
SMILES and InChIs

SMILES:
Nc1ccc(cc1)CCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCc1ccc(cc1)N
InChI:
InChI=1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3
InChIKey:
WGENWPANMZLPIH-UHFFFAOYSA-N

Cite this record

CBID:69686 http://www.chembase.cn/molecule-69686.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-decylaniline
IUPAC Traditional name
4-decylaniline
Synonyms
4-n-Decylaniline
P-N-DECYLANILINE
4-Decylaniline
4-Decylaniline
4-正癸基苯胺
4-癸基苯胺
CAS Number
37529-30-9
EC Number
253-546-9
MDL Number
MFCD00007918
Beilstein Number
2721403
PubChem SID
24853980
162035412
PubChem CID
92309

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5765114  LogD (pH = 7.4) 5.6577177 
Log P 5.6588593  Molar Refractivity 77.2086 cm3
Polarizability 29.884523 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
23-25°C expand Show data source
25 °C(lit.) expand Show data source
Boiling Point
218-220 °C/14 mmHg(lit.) expand Show data source
218-220°C/14mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Refractive Index
1.5100 expand Show data source
Storage Warning
IRRITANT 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
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
26-37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335-H400 expand Show data source
GHS Precautionary statements
P261-P273-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
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3(CH2)9C6H4NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209936 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 233536 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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