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4111-54-0 molecular structure
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lithium(1+) ion bis(propan-2-yl)azanide

ChemBase ID: 128080
Molecular Formular: C6H14LiN
Molecular Mass: 107.12306
Monoisotopic Mass: 107.128629
SMILES and InChIs

SMILES:
[Li+].[N-](C(C)C)C(C)C
Canonical SMILES:
CC([N-]C(C)C)C.[Li+]
InChI:
InChI=1S/C6H14N.Li/c1-5(2)7-6(3)4;/h5-6H,1-4H3;/q-1;+1
InChIKey:
ZCSHNCUQKCANBX-UHFFFAOYSA-N

Cite this record

CBID:128080 http://www.chembase.cn/molecule-128080.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
lithium(1+) ion bis(propan-2-yl)azanide
IUPAC Traditional name
lithium(1+) ion diisopropylazanide
Synonyms
LDA
Lithium diisopropylamide
CAS Number
4111-54-0
PubChem SID
162222395
PubChem CID
2724682
Chemspider ID
2006804
Wikipedia Title
Lithium_diisopropylamide

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8835524  LogD (pH = 7.4) -1.6228405 
Log P 1.3538874  Molar Refractivity 32.4282 cm3
Polarizability 12.642111 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Solubility
Reacts with water expand Show data source
Density
0.79 g/cm3 expand Show data source
pKa
36 (THF) expand Show data source
Main Hazard
corrosive expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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