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4277-89-8 molecular structure
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trimethyl[2-(tetradecanoyloxy)ethyl]aminyl hydrochloride

ChemBase ID: 108461
Molecular Formular: C19H41ClNO2
Molecular Mass: 350.98734
Monoisotopic Mass: 350.28258224
SMILES and InChIs

SMILES:
Cl.CCCCCCCCCCCCCC(=O)OCC[N](C)(C)C
Canonical SMILES:
CCCCCCCCCCCCCC(=O)OCC[N](C)(C)C.Cl
InChI:
InChI=1S/C19H40NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18-17-20(2,3)4;/h5-18H2,1-4H3;1H
InChIKey:
VAFSRNAUBZWGKV-UHFFFAOYSA-N

Cite this record

CBID:108461 http://www.chembase.cn/molecule-108461.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl[2-(tetradecanoyloxy)ethyl]aminyl hydrochloride
IUPAC Traditional name
trimethyl[2-(tetradecanoyloxy)ethyl]aminyl hydrochloride
Synonyms
MYRISTOYL CHOLINE CHLORIDE
CAS Number
4277-89-8
PubChem SID
162094381
PubChem CID
0

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
MP Biomedicals
05207435 external link Add to cart Please log in.
Data Source Data ID
PubChem 0 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 106.5834 cm3 Polar Surface Area 26.3 Å2
Rotatable Bonds 16  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

MP Biomedicals MP Biomedicals
MP Biomedicals - 05207435 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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