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838902-91-3 | 2,4-Quinazolinediamine, 6,7-dimethoxy-N,N'-dimethyl-N,N'-dioctyl-
CAS No: 838902-91-3 Catalog No: AG004VEB MDL No:
Product Description
Catalog Number:
AG004VEB
Chemical Name:
2,4-Quinazolinediamine, 6,7-dimethoxy-N,N'-dimethyl-N,N'-dioctyl-
CAS Number:
838902-91-3
Molecular Formula:
C28H48N4O2
Molecular Weight:
472.7063
IUPAC Name:
6,7-dimethoxy-2-N,4-N-dimethyl-2-N,4-N-dioctylquinazoline-2,4-diamine
InChI:
InChI=1S/C28H48N4O2/c1-7-9-11-13-15-17-19-31(3)27-23-21-25(33-5)26(34-6)22-24(23)29-28(30-27)32(4)20-18-16-14-12-10-8-2/h21-22H,7-20H2,1-6H3
InChI Key:
NJBFPFWUQNNPHI-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(c1nc2cc(OC)c(cc2c(n1)N(CCCCCCCC)C)OC)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.378g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.718g/mol
Monoisotopic Mass:
472.378g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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