200,000+ products from a single source!
sales@angenechem.com
102259-64-3 | 1,4-Pentanediamine, N4-(7-chloro-6-nitro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2)
CAS No: 102259-64-3 Catalog No: AG00071C MDL No:
Product Description
Catalog Number:
AG00071C
Chemical Name:
1,4-Pentanediamine, N4-(7-chloro-6-nitro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2)
CAS Number:
102259-64-3
Molecular Formula:
C18H31ClN4O10P2
Molecular Weight:
560.8601
IUPAC Name:
4-N-(7-chloro-6-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphono dihydrogen phosphate
InChI:
InChI=1S/C18H25ClN4O2.H4O7P2/c1-4-22(5-2)10-6-7-13(3)21-16-8-9-20-17-12-15(19)18(23(24)25)11-14(16)17;1-8(2,3)7-9(4,5)6/h8-9,11-13H,4-7,10H2,1-3H3,(H,20,21);(H2,1,2,3)(H2,4,5,6)
InChI Key:
UVEFAJOQKPONDO-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.OP(=O)(O)O.CCN(CCCC(Nc1ccnc2c1cc([N+](=O)[O-])c(c2)Cl)C)CC
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.11g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
542.847g/mol
Monoisotopic Mass:
542.11g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.