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51461-89-3 | 7,15-Diazadispiro[5.1.5.3]hexadecane, 15,15'-(1,12-dodecanediyl)bis-
CAS No: 51461-89-3 Catalog No: AG006VVM MDL No:
Product Description
Catalog Number:
AG006VVM
Chemical Name:
7,15-Diazadispiro[5.1.5.3]hexadecane, 15,15'-(1,12-dodecanediyl)bis-
CAS Number:
51461-89-3
Molecular Formula:
C40H74N4
Molecular Weight:
611.0424
IUPAC Name:
15-[12-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)dodecyl]-7,15-diazadispiro[5.1.58.36]hexadecane
InChI:
InChI=1S/C40H74N4/c1(3-5-7-21-31-43-33-37(23-13-9-14-24-37)41-38(34-43)25-15-10-16-26-38)2-4-6-8-22-32-44-35-39(27-17-11-18-28-39)42-40(36-44)29-19-12-20-30-40/h41-42H,1-36H2
InChI Key:
PSVZTCPJAVETLU-UHFFFAOYSA-N
SMILES:
C(CCCCCN1CC2(CCCCC2)NC2(C1)CCCCC2)CCCCCCN1CC2(CCCCC2)NC2(C1)CCCCC2
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.591g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
611.06g/mol
Monoisotopic Mass:
610.591g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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