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4434-66-6 molecular structure
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1-bromononadecane

ChemBase ID: 152337
Molecular Formular: C19H39Br
Molecular Mass: 347.41696
Monoisotopic Mass: 346.22351325
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCCBr
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCBr
InChI:
InChI=1S/C19H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3
InChIKey:
GWESGLGUMMNXDU-UHFFFAOYSA-N

Cite this record

CBID:152337 http://www.chembase.cn/molecule-152337.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromononadecane
IUPAC Traditional name
1-bromononadecane
Synonyms
Nonadecyl bromide
1-Bromononadecane
十九烷基溴
1-溴十九烷
CAS Number
4434-66-6
EC Number
224-641-2
MDL Number
MFCD00210024
Beilstein Number
1703823
PubChem SID
162246482
24850629
PubChem CID
20496

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
17735 external link Add to cart Please log in.
Data Source Data ID
PubChem 20496 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.013939  LogD (pH = 7.4) 9.013939 
Log P 9.013939  Molar Refractivity 97.1844 cm3
Polarizability 38.26832 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 17  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
38-41 °C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥97.0% (GC) expand Show data source
Linear Formula
CH3(CH2)18Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 17735 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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