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1630906-38-5 | 1,4-Dioxa-9-azadispiro[4.2.4.2]tetradecane, 9-(phenylmethyl)-, hydriodide (1:1)
CAS No: 1630906-38-5 Catalog No: AG001TPC MDL No:MFCD28166311
Product Description
Catalog Number:
AG001TPC
Chemical Name:
1,4-Dioxa-9-azadispiro[4.2.4.2]tetradecane, 9-(phenylmethyl)-, hydriodide (1:1)
CAS Number:
1630906-38-5
Molecular Formula:
C18H26INO2
Molecular Weight:
415.3090
MDL Number:
MFCD28166311
IUPAC Name:
4-benzyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane;hydroiodide
InChI:
InChI=1S/C18H25NO2.HI/c1-2-5-16(6-3-1)15-19-12-4-7-17(19)8-10-18(11-9-17)20-13-14-21-18;/h1-3,5-6H,4,7-15H2;1H
InChI Key:
VFSCHGGYQVTCRU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCCC21CCC1(CC2)OCCO1.I
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.315g/mol
Monoisotopic Mass:
415.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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