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89443-54-9 | 1,3-Propanediamine, N,N-diethyl-N'-(5-iodo-1H-indazol-3-yl)-
CAS No: 89443-54-9 Catalog No: AG0044JC MDL No:
Product Description
Catalog Number:
AG0044JC
Chemical Name:
1,3-Propanediamine, N,N-diethyl-N'-(5-iodo-1H-indazol-3-yl)-
CAS Number:
89443-54-9
Molecular Formula:
C14H21IN4
Molecular Weight:
372.2478
IUPAC Name:
N',N'-diethyl-N-(5-iodo-1H-indazol-3-yl)propane-1,3-diamine
InChI:
InChI=1S/C14H21IN4/c1-3-19(4-2)9-5-8-16-14-12-10-11(15)6-7-13(12)17-18-14/h6-7,10H,3-5,8-9H2,1-2H3,(H2,16,17,18)
InChI Key:
CMISLGDBFLVUJB-UHFFFAOYSA-N
SMILES:
CCN(CCCNc1n[nH]c2c1cc(I)cc2)CC
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.254g/mol
Monoisotopic Mass:
372.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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