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89007-81-8 | 1H-Indazol-3-amine, 1-[3-(hexahydro-1H-azepin-1-yl)butyl]-
CAS No: 89007-81-8 Catalog No: AG0044TU MDL No:
Product Description
Catalog Number:
AG0044TU
Chemical Name:
1H-Indazol-3-amine, 1-[3-(hexahydro-1H-azepin-1-yl)butyl]-
CAS Number:
89007-81-8
Molecular Formula:
C17H26N4
Molecular Weight:
286.4151
IUPAC Name:
1-[3-(azepan-1-yl)butyl]indazol-3-amine
InChI:
InChI=1S/C17H26N4/c1-14(20-11-6-2-3-7-12-20)10-13-21-16-9-5-4-8-15(16)17(18)19-21/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H2,18,19)
InChI Key:
KUENZUDUIJISTH-UHFFFAOYSA-N
SMILES:
CC(N1CCCCCC1)CCn1nc(c2c1cccc2)N
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.216g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.423g/mol
Monoisotopic Mass:
286.216g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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