200,000+ products from a single source!
sales@angenechem.com
113401-42-6 | 1,3,5-Triazin-2-amine, 4-chloro-N,N-dihexyl-6-(4-nitrophenoxy)-
CAS No: 113401-42-6 Catalog No: AG0008FM MDL No:
Product Description
Catalog Number:
AG0008FM
Chemical Name:
1,3,5-Triazin-2-amine, 4-chloro-N,N-dihexyl-6-(4-nitrophenoxy)-
CAS Number:
113401-42-6
Molecular Formula:
C21H30ClN5O3
Molecular Weight:
435.9476
IUPAC Name:
4-chloro-N,N-dihexyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
InChI:
InChI=1S/C21H30ClN5O3/c1-3-5-7-9-15-26(16-10-8-6-4-2)20-23-19(22)24-21(25-20)30-18-13-11-17(12-14-18)27(28)29/h11-14H,3-10,15-16H2,1-2H3
InChI Key:
IUSYJKFJQIPJAD-UHFFFAOYSA-N
SMILES:
CCCCCCN(c1nc(Cl)nc(n1)Oc1ccc(cc1)[N+](=O)[O-])CCCCCC
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.204g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.953g/mol
Monoisotopic Mass:
435.204g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.