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1070-01-5 molecular structure
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tris(decyl)amine

ChemBase ID: 111460
Molecular Formular: C30H63N
Molecular Mass: 437.82792
Monoisotopic Mass: 437.49605102
SMILES and InChIs

SMILES:
CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC
InChI:
InChI=1S/C30H63N/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3
InChIKey:
COFKFSSWMQHKMD-UHFFFAOYSA-N

Cite this record

CBID:111460 http://www.chembase.cn/molecule-111460.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(decyl)amine
IUPAC Traditional name
1-decanamine, N,N-didecyl-
Synonyms
TRI-n-DECYLAMINE (TERTIARY AMINE)
CAS Number
1070-01-5
PubChem SID
162103258
PubChem CID
14049

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05219290 external link Add to cart Please log in.
Data Source Data ID
PubChem 14049 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.669202  LogD (pH = 7.4) 9.004357 
Log P 12.164103  Molar Refractivity 144.4269 cm3
Polarizability 57.671062 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds 27  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
YD3675000 expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05219290 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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