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116459-29-1 | Ethanol, 2-[bis[[(1,1-dimethylethyl)dioxy]methyl]amino]-
CAS No: 116459-29-1 Catalog No: AG000CJW MDL No:
Product Description
Catalog Number:
AG000CJW
Chemical Name:
Ethanol, 2-[bis[[(1,1-dimethylethyl)dioxy]methyl]amino]-
CAS Number:
116459-29-1
Molecular Formula:
C12H27NO5
Molecular Weight:
265.3465
IUPAC Name:
2-[bis(tert-butylperoxymethyl)amino]ethanol
InChI:
InChI=1S/C12H27NO5/c1-11(2,3)17-15-9-13(7-8-14)10-16-18-12(4,5)6/h14H,7-10H2,1-6H3
InChI Key:
SWTUJODNCUYOQQ-UHFFFAOYSA-N
SMILES:
OCCN(COOC(C)(C)C)COOC(C)(C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.189g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.35g/mol
Monoisotopic Mass:
265.189g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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