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88944-59-6 | 1,3-Propanediamine, N'-(4-chloro-1H-indazol-3-yl)-N,N-diethyl-
CAS No: 88944-59-6 Catalog No: AG0048DL MDL No:
Product Description
Catalog Number:
AG0048DL
Chemical Name:
1,3-Propanediamine, N'-(4-chloro-1H-indazol-3-yl)-N,N-diethyl-
CAS Number:
88944-59-6
Molecular Formula:
C14H21ClN4
Molecular Weight:
280.7963
IUPAC Name:
N-(4-chloro-1H-indazol-3-yl)-N',N'-diethylpropane-1,3-diamine
InChI:
InChI=1S/C14H21ClN4/c1-3-19(4-2)10-6-9-16-14-13-11(15)7-5-8-12(13)17-18-14/h5,7-8H,3-4,6,9-10H2,1-2H3,(H2,16,17,18)
InChI Key:
UHCKNTCFGRHPFF-UHFFFAOYSA-N
SMILES:
CCN(CCCNc1n[nH]c2c1c(Cl)ccc2)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:
280.145g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.8g/mol
Monoisotopic Mass:
280.145g/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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