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1086138-36-4 | bis(2-(Di(adamantan-1-yl)phosphino)ethyl)amine
CAS No: 1086138-36-4 Catalog No: AG003O7I MDL No:
Product Description
Catalog Number:
AG003O7I
Chemical Name:
bis(2-(Di(adamantan-1-yl)phosphino)ethyl)amine
CAS Number:
1086138-36-4
Molecular Formula:
C44H69NP2
Molecular Weight:
673.9729
IUPAC Name:
2-[bis(1-adamantyl)phosphanyl]-N-[2-[bis(1-adamantyl)phosphanyl]ethyl]ethanamine
InChI:
InChI=1S/C44H69NP2/c1(3-46(41-17-29-5-30(18-41)7-31(6-29)19-41)42-20-32-8-33(21-42)10-34(9-32)22-42)45-2-4-47(43-23-35-11-36(24-43)13-37(12-35)25-43)44-26-38-14-39(27-44)16-40(15-38)28-44/h29-40,45H,1-28H2
InChI Key:
KBHQOEPPHGCYHC-UHFFFAOYSA-N
SMILES:
N(CCP(C12CC3CC(C2)CC(C1)C3)C12CC3CC(C2)CC(C1)C3)CCP(C12CC3CC(C2)CC(C1)C3)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
904
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
673.491g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
673.991g/mol
Monoisotopic Mass:
673.491g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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