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1454-84-8 molecular structure
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nonadecan-1-ol

ChemBase ID: 147160
Molecular Formular: C19H40O
Molecular Mass: 284.5203
Monoisotopic Mass: 284.3079159
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCCO
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCO
InChI:
InChI=1S/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3
InChIKey:
XGFDHKJUZCCPKQ-UHFFFAOYSA-N

Cite this record

CBID:147160 http://www.chembase.cn/molecule-147160.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nonadecan-1-ol
IUPAC Traditional name
nonadecanol
Synonyms
1-Nonadecanol
十九烷醇
CAS Number
1454-84-8
EC Number
215-930-4
MDL Number
MFCD00002824
Beilstein Number
1758190
PubChem SID
162241351
24857252
PubChem CID
80281

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
286842 external link Add to cart Please log in.
Data Source Data ID
PubChem 80281 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 7.4738517 
LogD (pH = 7.4) 7.473852  Log P 7.473852 
Molar Refractivity 91.1499 cm3 Polarizability 36.401302 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 17 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
60-61 °C(lit.) 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
99% expand Show data source
Linear Formula
CH3(CH2)18OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 286842 external link
Packaging
500 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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