Benzeneethanamine, 3-methoxy-N-methyl-N-(trimethylsilyl)-beta,4-bis[(trimethylsilyl)oxy]-
PubChem CID
530213
Structure
Molecular Formula
Synonyms
- Benzeneethanamine, 3-methoxy-N-methyl-N-(trimethylsilyl)-.beta.,4-bis[(trimethylsilyl)oxy]-
- Silanamine, N-[2-[3-methoxy-4-[(trimethylsilyl)oxy]phenyl]-N,1,1,1-tetramethyl-2-[(trimethylsilyl)oxy]ethyl]-
- Metanephrine tri-TMS
- Metanephrine, tris-TMS
- Metanephrine, 3TMS derivative
Molecular Weight
413.8 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
2-(3-methoxy-4-trimethylsilyloxyphenyl)-N-methyl-N-trimethylsilyl-2-trimethylsilyloxyethanamine
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C19H39NO3Si3/c1-20(24(3,4)5)15-19(23-26(9,10)11)16-12-13-17(18(14-16)21-2)22-25(6,7)8/h12-14,19H,15H2,1-11H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
ZUOAVMHEWGXAQS-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CN(CC(C1=CC(=C(C=C1)O[Si](C)(C)C)OC)O[Si](C)(C)C)[Si](C)(C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H39NO3Si3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- Benzeneethanamine, 3-methoxy-N-methyl-N-(trimethylsilyl)-.beta.,4-bis[(trimethylsilyl)oxy]-
- Silanamine, N-[2-[3-methoxy-4-[(trimethylsilyl)oxy]phenyl]-N,1,1,1-tetramethyl-2-[(trimethylsilyl)oxy]ethyl]-
- Metanephrine tri-TMS
- Metanephrine, tris-TMS
- Metanephrine, 3TMS derivative
- ZUOAVMHEWGXAQS-UHFFFAOYSA-N
- Benzenemethanol,4-hydroxy-3-methoxy-.alpha.-[(methylamino)methyl]-, tris(trimethylsilyl) deriv.
- N-(2-(3-Methoxy-4-[(trimethylsilyl)oxy]phenyl)-2-[(trimethylsilyl)oxy]ethyl)-N-tetramethylsilanamine #
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
413.8 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
413.22377371 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
413.22377371 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
30.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
429
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Standard non-polar
1938 , 1950
Semi-standard non-polar
1907.1
NIST Number
334023
Library
Main library
Total Peaks
190
m/z Top Peak
116
m/z 2nd Highest
73
m/z 3rd Highest
117
Thumbnail
NIST Number
141372
Library
Replicate library
Total Peaks
127
m/z Top Peak
116
m/z 2nd Highest
73
m/z 3rd Highest
117
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawMetanephrine, 3TMS derivativehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseSilanamine, N-[2-[3-methoxy-4-[(trimethylsilyl)oxy]phenyl]-N,1,1,1-tetramethyl-2-[(trimethylsilyl)oxy]ethyl]-https://spectrabase.com/spectrum/CVfYq0MCmXqSilanamine, N-[2-[3-methoxy-4-[(trimethylsilyl)oxy]phenyl]-N,1,1,1-tetramethyl-2-[(trimethylsilyl)oxy]ethyl]-https://spectrabase.com/spectrum/180a1bWs8wl
- PubChem
CONTENTS