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13417-08-8 molecular structure
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hexadecyl(methyl)amine

ChemBase ID: 173772
Molecular Formular: C17H37N
Molecular Mass: 255.48238
Monoisotopic Mass: 255.29260019
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCNC
Canonical SMILES:
CCCCCCCCCCCCCCCCNC
InChI:
InChI=1S/C17H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2/h18H,3-17H2,1-2H3
InChIKey:
IHFXMTOFDQKABX-UHFFFAOYSA-N

Cite this record

CBID:173772 http://www.chembase.cn/molecule-173772.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexadecyl(methyl)amine
IUPAC Traditional name
hexadecyl(methyl)amine
Synonyms
N-Methylcetylamine
N-Methylhexadecanamine
N-Methylpalmitylamine
n-Hexadecylmethylamine
N-Methyl-1-hexadecanamine
N-Methylhexadecylamine
CAS Number
13417-08-8
PubChem SID
164229682
PubChem CID
83422

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M311995 external link Add to cart
PubChem 83422 external link
Data Source Data ID Price
TRC
M311995 external link Add to cart Please log in.
Data Source Data ID
PubChem 83422 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2306082  LogD (pH = 7.4) 3.575984 
Log P 6.4658446  Molar Refractivity 83.779 cm3
Polarizability 33.659523 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds 15  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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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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