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620598-21-2 molecular structure
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trimethyl({1-[tris(propan-2-yl)silyl]-1H-indol-3-yl}methyl)azanium iodide

ChemBase ID: 307118
Molecular Formular: C21H37IN2Si
Molecular Mass: 472.52185
Monoisotopic Mass: 472.17707373
SMILES and InChIs

SMILES:
n1(cc(c2c1cccc2)C[N+](C)(C)C)[Si](C(C)C)(C(C)C)C(C)C.[I-]
Canonical SMILES:
CC([Si](n1cc(c2c1cccc2)C[N+](C)(C)C)(C(C)C)C(C)C)C.[I-]
InChI:
InChI=1S/C21H37N2Si.HI/c1-16(2)24(17(3)4,18(5)6)22-14-19(15-23(7,8)9)20-12-10-11-13-21(20)22;/h10-14,16-18H,15H2,1-9H3;1H/q+1;/p-1
InChIKey:
MGQUTRKXDZKUPN-UHFFFAOYSA-M

Cite this record

CBID:307118 http://www.chembase.cn/molecule-307118.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl({1-[tris(propan-2-yl)silyl]-1H-indol-3-yl}methyl)azanium iodide
IUPAC Traditional name
trimethyl({[1-(triisopropylsilyl)indol-3-yl]methyl})azanium iodide
Synonyms
N,N,N-trimethyl[1-(triisopropylsilyl)-1H-indol-3-yl]methanaminium iodide
CAS Number
620598-21-2
MDL Number
MFCD08059839

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6889258  LogD (pH = 7.4) 0.6889258 
Log P 0.6889258  Molar Refractivity 116.8872 cm3
Polarizability 43.97775 Å3 Polar Surface Area 4.93 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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