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1346603-49-3 molecular structure
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1-azidotriacontane

ChemBase ID: 178871
Molecular Formular: C30H61N3
Molecular Mass: 463.82544
Monoisotopic Mass: 463.48654897
SMILES and InChIs

SMILES:
C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)N=[N+]=[N-]
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN=[N+]=[N-]
InChI:
InChI=1S/C30H61N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-31/h2-30H2,1H3
InChIKey:
JABIDXRKILOWSQ-UHFFFAOYSA-N

Cite this record

CBID:178871 http://www.chembase.cn/molecule-178871.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-azidotriacontane
IUPAC Traditional name
1-azidotriacontane
Synonyms
1-Azidotriacontane
1-Triacontylazide
CAS Number
1346603-49-3
PubChem SID
164234781
PubChem CID
71752669

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T767080 external link Add to cart
PubChem 71752669 external link
Data Source Data ID Price
TRC
T767080 external link Add to cart Please log in.
Data Source Data ID
PubChem 71752669 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 13.070406  LogD (pH = 7.4) 13.070406 
Log P 13.184452  Molar Refractivity 148.0534 cm3
Polarizability 58.312782 Å3 Polar Surface Area 29.43 Å2
Rotatable Bonds 29  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
White Powder expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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