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123623-03-0 | 9,10-Anthracenedimethanamine, N,N'-bis[3-[bis(3-aminopropyl)amino]propyl]- (9CI)
CAS No: 123623-03-0 Catalog No: AG000KWB MDL No:
Product Description
Catalog Number:
AG000KWB
Chemical Name:
9,10-Anthracenedimethanamine, N,N'-bis[3-[bis(3-aminopropyl)amino]propyl]- (9CI)
CAS Number:
123623-03-0
Molecular Formula:
C34H58N8
Molecular Weight:
578.8779
IUPAC Name:
N'-(3-aminopropyl)-N'-[3-[[10-[[3-[bis(3-aminopropyl)amino]propylamino]methyl]anthracen-9-yl]methylamino]propyl]propane-1,3-diamine
InChI:
InChI=1S/C34H58N8/c35-15-5-21-41(22-6-16-36)25-9-19-39-27-33-29-11-1-2-12-30(29)34(32-14-4-3-13-31(32)33)28-40-20-10-26-42(23-7-17-37)24-8-18-38/h1-4,11-14,39-40H,5-10,15-28,35-38H2
InChI Key:
BOEKXSBACLDMJQ-UHFFFAOYSA-N
SMILES:
NCCCN(CCCN)CCCNCc1c2ccccc2c(c2c1cccc2)CNCCCN(CCCN)CCCN
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
578.478g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
578.894g/mol
Monoisotopic Mass:
578.478g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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