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119643-88-8 | [4,4'-Bipiperidine]-1,1'-diethanamine, N,N'-di-9-acridinyl- (9CI)
CAS No: 119643-88-8 Catalog No: AG000PE0 MDL No:
Product Description
Catalog Number:
AG000PE0
Chemical Name:
[4,4'-Bipiperidine]-1,1'-diethanamine, N,N'-di-9-acridinyl- (9CI)
CAS Number:
119643-88-8
Molecular Formula:
C40H44N6
Molecular Weight:
608.8176
IUPAC Name:
N-[2-[4-[1-[2-(acridin-9-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine
InChI:
InChI=1S/C40H44N6/c1-5-13-35-31(9-1)39(32-10-2-6-14-36(32)43-35)41-21-27-45-23-17-29(18-24-45)30-19-25-46(26-20-30)28-22-42-40-33-11-3-7-15-37(33)44-38-16-8-4-12-34(38)40/h1-16,29-30H,17-28H2,(H,41,43)(H,42,44)
InChI Key:
JGHICYRKPGXJOY-UHFFFAOYSA-N
SMILES:
C(Nc1c2ccccc2nc2c1cccc2)CN1CCC(CC1)C1CCN(CC1)CCNc1c2ccccc2nc2c1cccc2
Properties
Complexity:
811
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
608.363g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
608.834g/mol
Monoisotopic Mass:
608.363g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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