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18435-45-5 molecular structure
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nonadec-1-ene

ChemBase ID: 131036
Molecular Formular: C19H38
Molecular Mass: 266.50502
Monoisotopic Mass: 266.29735122
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC=C
Canonical SMILES:
CCCCCCCCCCCCCCCCCC=C
InChI:
InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3
InChIKey:
NHLUYCJZUXOUBX-UHFFFAOYSA-N

Cite this record

CBID:131036 http://www.chembase.cn/molecule-131036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nonadec-1-ene
IUPAC Traditional name
1-nonadecene
Synonyms
1-Nonadecene
1-十九烯
CAS Number
18435-45-5
EC Number
242-313-7
MDL Number
MFCD00009010
Beilstein Number
1705613
PubChem SID
24897543
24886661
162225314
PubChem CID
29075

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 29075 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.606543  LogD (pH = 7.4) 8.606543 
Log P 8.606543  Molar Refractivity 89.2653 cm3
Polarizability 35.610783 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 16  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
23 °C(lit.) expand Show data source
Flash Point
110 °C expand Show data source
230 °F expand Show data source
Density
0.79 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.445(lit.) expand Show data source
Transition Temperature
solidification point 21-24 °C 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
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99.0% (GC) expand Show data source
97% expand Show data source
Grade
analytical standard expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH3(CH2)16CH=CH2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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