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188803-25-0 | 1,8-Octanediamine, N8-(7-chloro-4-quinolinyl)-N1,N1-diethyl-
CAS No: 188803-25-0 Catalog No: AG002HCP MDL No:
Product Description
Catalog Number:
AG002HCP
Chemical Name:
1,8-Octanediamine, N8-(7-chloro-4-quinolinyl)-N1,N1-diethyl-
CAS Number:
188803-25-0
Molecular Formula:
C21H32ClN3
Molecular Weight:
361.9519
IUPAC Name:
N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine
InChI:
InChI=1S/C21H32ClN3/c1-3-25(4-2)16-10-8-6-5-7-9-14-23-20-13-15-24-21-17-18(22)11-12-19(20)21/h11-13,15,17H,3-10,14,16H2,1-2H3,(H,23,24)
InChI Key:
HRIUXTURLSACND-UHFFFAOYSA-N
SMILES:
CCN(CCCCCCCCNc1ccnc2c1ccc(c2)Cl)CC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.228g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.958g/mol
Monoisotopic Mass:
361.228g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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