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85952-93-8 | N-[3-(4,6,11-TRIOXA-1-AZA-5-SILABICYCLO[3.3.3]UNDEC-5-YL)PROPYL]ANILINE
CAS No: 85952-93-8 Catalog No: AG004MJW MDL No:
Product Description
Catalog Number:
AG004MJW
Chemical Name:
N-[3-(4,6,11-TRIOXA-1-AZA-5-SILABICYCLO[3.3.3]UNDEC-5-YL)PROPYL]ANILINE
CAS Number:
85952-93-8
Molecular Formula:
C15H24N2O3Si
Molecular Weight:
308.4482
IUPAC Name:
N-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]aniline
InChI:
InChI=1S/C15H24N2O3Si/c1-2-5-15(6-3-1)16-7-4-14-21-18-11-8-17(9-12-19-21)10-13-20-21/h1-3,5-6,16H,4,7-14H2
InChI Key:
MQUNDDCBMDSQQJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NCCC[Si]12OCCN(CCO1)CCO2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.156g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.453g/mol
Monoisotopic Mass:
308.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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