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5518-77-4 molecular structure
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{2-[(3-carboxypropanoyl)oxy]ethyl}trimethylazanium

ChemBase ID: 129641
Molecular Formular: C9H18NO4+
Molecular Mass: 204.24352
Monoisotopic Mass: 204.12358306
SMILES and InChIs

SMILES:
O=C(O)CCC(=O)OCC[N+](C)(C)C
Canonical SMILES:
OC(=O)CCC(=O)OCC[N+](C)(C)C
InChI:
InChI=1S/C9H17NO4/c1-10(2,3)6-7-14-9(13)5-4-8(11)12/h4-7H2,1-3H3/p+1
InChIKey:
JQLBLDAELQDYMK-UHFFFAOYSA-O

Cite this record

CBID:129641 http://www.chembase.cn/molecule-129641.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[(3-carboxypropanoyl)oxy]ethyl}trimethylazanium
IUPAC Traditional name
succinylmonocholine
Synonyms
Succinylmonocholine
CAS Number
5518-77-4
PubChem SID
162223930
PubChem CID
160784
Chemspider ID
141273
MeSH Name
Succinylmonocholine
Wikipedia Title
Succinylmonocholine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.122181  H Acceptors
H Donor LogD (pH = 5.5) -3.640498 
LogD (pH = 7.4) -3.6259387  Log P -4.3962812 
Molar Refractivity 62.2388 cm3 Polarizability 20.135317 Å3
Polar Surface Area 63.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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