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88944-64-3 | 1,3-Propanediamine, N,N-dibutyl-N'-(5-chloro-1H-indazol-3-yl)-
CAS No: 88944-64-3 Catalog No: AG0047JN MDL No:
Product Description
Catalog Number:
AG0047JN
Chemical Name:
1,3-Propanediamine, N,N-dibutyl-N'-(5-chloro-1H-indazol-3-yl)-
CAS Number:
88944-64-3
Molecular Formula:
C18H29ClN4
Molecular Weight:
336.9027
IUPAC Name:
N',N'-dibutyl-N-(5-chloro-1H-indazol-3-yl)propane-1,3-diamine
InChI:
InChI=1S/C18H29ClN4/c1-3-5-11-23(12-6-4-2)13-7-10-20-18-16-14-15(19)8-9-17(16)21-22-18/h8-9,14H,3-7,10-13H2,1-2H3,(H2,20,21,22)
InChI Key:
FTNLXGSVQXCIQI-UHFFFAOYSA-N
SMILES:
CCCCN(CCCC)CCCNc1n[nH]c2c1cc(Cl)cc2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.208g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.908g/mol
Monoisotopic Mass:
336.208g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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